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The 3rd International Conference on Computation for Science and
Technology (ICCST-3) is an international conference dedicated to
promoting advances in computational methods for science and
engineering. Building on the previous successful meetings, ICCST-1
(2010) in Chiang Mai-Thailand and ICCST-2 (2012) in Nigde-Turkey,
this conference program aims still to further foster and stimulate
international scientific exchange and collaboration. Computational
method has been applied in sciences, engineering and other related
disciplines, such as computational chemistry, computational
physics, computational biology, computational mathematics,
computational mechanics for solids and structures, computational
fluid dynamics, computational heat transfer, computational inverse
problem, computational meso/micro/nano mechanics, computational
penetration mechanics, molecular and quantum methods, information
technology, etc. By computational method, many monumental
breakthrough have been achieved in science and engineering for
promoting better life. In the future, we are sure that
computational simulation may replace experimental (wet) work which
laborious and expensive, thus computational research base-economy
will be the initiator in realizing green economy. The purposes of
performing ICCST-3 are still consistent with first and second
conference, i.e: (i) to build and strengthening international
networking between researchers, institutions as well as related
industries; (ii) to share information on the recent finding in
computational method-based researches; (iii) to encourage (young)
scientists who work in computational method, especially for
researchers in Asia-Pacific, although it is not limited. The
conference cover topics of computational chemistry, computational
biology, computational mathematics, computational physics,
computational material sciences, computational nano-sciences,
computational intelligence, computer-aided drug design, and other
related topics applying computational method. The scientific
program will include plenary and invited lectures to highlight some
of the major developments in computational methods for science and
engineering. Oral and poster presentation are the main contribution
of the conference. For ICCST-3, Organizing Committee thank Chiang
Mai University-Thailand; Islamic Azad University-Iran; University
Sains Malaysia; Universitas Udayana-Indonesia; Ankara
University-Turkey; Kastamonu University-Turkey for co-organizing
the conference. We also thank Himpunan Kimia Indonesia (HKI;
Indonesian Chemical Society) and Indonesian Society of Medicinal
Chemistry for supporting ICCST-3. We greatly thank LPPM-ITB for
financial support as well as other parties which have contributed
in supporting ICCST-3. Chairman, Prof. Daryono Hadi Tjahjono
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Preface
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List of Contents
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Complete Schedule of Conference
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Schedule of Conference
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Tuesday, 23 September 2014
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Grand Ball Room
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Agung Room
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Batukaru Room
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Wednesday, 24 September 2014
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Grand Ball Room
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Agung Room
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Batukaru Room
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List of Speakers
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List of Oral Participants
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List of Poster Participants
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List of Committee
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Monday,
22.9.2014
Abang Room
16.00-18.00 Registration T
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Grand Ball Room
08.00-08.30 Registration
08.30-09.00 Opening
Moderator: Prof. Ismail Yalcin
09.00-10.00 KS-01. Prof. Federico Gago (Alcala Univ., Spain)
10.00-10.15 Coffee break
Moderator: Prof. Habibah A. Wahab
10.15-11.15 PL-01. Prof Thierry Langer (Vienna Univ.,
France)
11.15-12.15 PL-02. Prof. Majid Monajjemi (IAU, Iran)
12.15-13.15 Lunch Break Poster Session
Grand Ball Room Agung Room Batukaru Room
Moderator: Assoc. Prof. Marlia Singgih Moderator: Prof. Fatma
Kandermili Moderator: Prof. Dr. Slamet Ibrahim
13.15-13.45 IS-01. Prof. Sun Choi (Ewha Womans Univ., Korea)
IS-03. Prof. Naoki Yoshioka (Keio Univ., Japan)
IS-05. Dr. Arry Yanuar (Universitas Indonesia, Indonesia)
13.45-14.15 IS-02. Prof. Esin Aki (Ankara Univ., Turkey)
IS-04. Prof. Karim Zare (Shahid Beheshti Univ., Iran)
IS-06 Dr. Supat Jiranusornkul (Chiang Mai Univ., Thailand)
14.15-14.50 Oral 1: P-13, P-89, P-112 Oral 2: P-56, P-95, P-104
Oral 3: P-3, P-25, P-106
14.50-15.05 Coffee Break Poster Session
Moderator: Prof. Esin Aki Moderator: Assoc. Prof. R.E.
Kartasasmita
15.05-15.35
Dinner preparation
IS-07. Assoc. Prof. Vannajan S. Lee (Malaya Univ., Malaysia)
IS-08 Prof. Sharifuddin Md. Zain (Malaya Univ., Malaysia)
15.35-16.10 Oral 4: P-10, P-26, P-93 Oral 5: P-14, P-18,
P-80
16.10-16.45 Oral 6: P-68, P-71, P-109 Oral 7: P-36, P-63,
P-103
19.00-21.00 Grand Ball Room: Welcome Dinner
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Grand Ball Room
Moderator: Prof. Sun Choi
08.30-09.30 P-03. Prof. Ismail Yalcin (Ankara Univ., Turkey)
09.30-10.30 P-04. Prof. Dr. Herbert Urbassek (Kaiserslautern
Univ., Germany)
10.30-10.45 Coffee Break Poster Session
Grand Ball Room Agung Room Batukaru
Moderator: Assoc. Prof. Vannajan S. Lee Moderator: Dr. Supat
Jiranusornkul Moderator: Assoc. Prof. Jutti Levita
10.45-11.15 IS-09. Prof. Fatma Kandemirli (Kastamonu Univ.,
Turkey)
IS-10. Sharon D. Bryant, Ph.D (Inte:Ligand, Austria)
IS-11. Dr. Rukman Hertadi (Institut Teknologi Bandung,
Indonesia)
11.15-11.50 Oral 8: P-7, P-11, P-23 Oral 9: P-31, P-76, P-92
Oral 10: P-20, P-79, P-113
11.50-12.25 Oral 11: P-70, P-83, P-91 Oral 12: P-24, P-97, P-111
Oral 13: P-77, P-81, P-115
12.25-13.25 Lunch Break
Moderator: Assoc. Prof. I Made Agus Gelgel Wirasuta Moderator:
Enade P. Istyastono, Ph.D Moderator: Dr. Can Dogan Vurdu
13.25-13.55 IS-12. Prof. Harno D. Pranowo (Gadjah Mada Univ.,
Indonesia)
IS-13. Prof. Roberd Saragih (Institut Teknologi Bandung,
Indonesia)
IS-14. Prof. Habibah A. Wahab (USM/MIPN, Malaysia)
13.55-14.35 Oral 14 : P-114, P-122 Oral 15 : P-19, P-88, P-116
Oral 16 : P-21, P-29, P-43
14.35-14.50 Coffee Break
14.50-15.30 Announcement of Best Posters and Closing
Ceremony
*) Compliment for Keynote, Plenary and Invited Speaker.
Interested participants should register and submit excursion fee
(50USD/person).
Thursday,
25.9.2014 08.00-14.00 Short Excursion*): Uluwatu Beach Forest,
Garuda Wisnu Kencana and Farewell Lunch
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Tuesday, 23 September 2014
Place : Grand Ball Room
08.00 08.30 Registration
08.30 09.00 Opening of the Conference
09.00 10.00 Moderator : Prof. Ismail Yalcin Keynote Speaker :
Prof. Federico Gago Bridging The Experiment-Theory Gap in
Pharmacology through Computation
10.00 10.15 Coffee Break Poster Session
10.15 11.15 Moderator : Prof. Habibah A. Wahab Plenary Speaker 1
: Prof. Thierry Langer Pharmacophores and Their Efficient Use in
Lead Discovery and Optimization
11.15 12.15 Moderator : Prof. Habibah A. Wahab Plenary Speaker 2
: Prof. Majid Monajjemi BnNn (Rotor) and BN
(-, 0, +) B (stator) as a Detector for Biological Molecules: A
Quantum Rotatory System in an IR Region
12.15 13.15 Lunch Poster session
Moderator : Assoc. Prof. Marlia Singgih
13.15 13.45 Invited Speaker 1 : Prof. Sun Choi Molecular
Modeling and Computer-Aided Drug Discovery of Adenosine Receptor
using Multiple Receptor Conformations and Network Analysis
13.45 14.15 Invited Speaker 2 : Prof. Esin Aki Anticancer Drug
Design Studies using Molecular Modeling Techniques
ORAL SESSION
14.15 14.50 Oral P-13 : Tugba Ertan-Bolelli Molecular Docking
Studies on Human Glutathione S-transferase Enzyme (hGSTP1-1) Oral
P-89 : Muhammad Sulaiman Zubair Cembranoid Diterpenes as Antitumor
: Molecular Docking Study to Several Protein Receptor Targets Oral
P-112 : Fauzan Zein Toxicity Prediction of
meso-5,15-di[3,4-bis(carboxymethylenoxy)phenyl] porphyrin and
meso-5,15-di[3,4-bis(carboxymethylenoxy)phenyl],10,20-diphenyl
porphyrin
14.50 15.05 Coffee break / Poster session
19.00 21. 00 Welcome Dinner
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Tuesday, 23 September 2014
Place : Agung Room
Moderator : Prof. Fatma Kandermili
13.15 13.45 Invited Speaker 3 : Prof. Naoki Yoshioka Synthesis
of Porphyrin Dyes with Different meso-Substituent and their
Application for DSSC
13.45 14.15 Invited Speaker 4 : Prof. Karim Zare Complexation
Thermodynamics of Dioxovanadium(V) by p-Sulphonato-calix[6]arene in
Aqueous Solution
ORAL SESSION
14.15 14.50 Oral P-56 : Enggar Alfianto Acceleration of
Norm-conserving Pseudopotential Plane-Wave-Based DFT Calculation on
GPU using CUDA
Oral P-95 : Iltizam Nasrullah Prediction of Hazard
Identification and Chracterization of Several Compounds Used as
Food Additives Applying In Silico Method
Oral P-104 : Burak Kandemirli Theoretical Calculations of The
pKa Values of Glyciene, Cysteine, Proline, and Selenocysteine
14.50 15.05 Coffee Break Poster session
Moderator : Prof. Esin Aki
15.05 15.35 Invited Speaker 7 : Assoc. Prof. Vannajan S. Lee
Designed Ankyrin-Repeat Protein for Viral Assembly Interruption
ORAL SESSION
15.35 16.10 Oral P-10 : Muchtaridi Potential Activity of Some
Herbal Compounds as Neuraminidase Inhibitors Based on Molecular
Modelling Studies
Oral P-26 : Widya Dwi Aryati AutoDock Vina Parameter
Optimization for Virtual Screening Validation of HIV-1 Integrase
Using A Directory of Useful Decoys Database Oral P-93 : Siripat
Chaichit Binding Models of Polyphenols to Cytochrome P450 2C9: A
Molecular Docking Study
16.10 16.45 Oral P-68 : Muhammad Arba Investigation of Cationic
Porphyrin-Anthraquinone as Novel Potential Hsp90 Inhibitor: A
Computational Study
Oral P-71 : Rifky Syariati Modeling of Tunneling Field-Effect
Transistor (TFET) Based on Strained Armchair Graphene Nanoribbons
(AGNRs)
Oral P-109 : Irwansyah Construction of Theta-cyclic Codes Over
an Algebra of Order 4
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Tuesday, 23 September 2014
Place : Batukaru Room
Moderator : Prof. Dr. Slamet Ibrahim Surantaatmadja
13.15 13.45 Invited Speaker 5 : Dr. Arry Yanuar Virtual
Screening of Indonesian Herbal Database (HerbalDB) to HIV-1 Target
Proteins
13.45 14.15 Invited Speaker 6 : Dr. Supat Jiranusornkul
Molecular Models for Prediction of Estrogenic Binding Activity of
Cissus quadrangularis Extracts
ORAL SESSION
14.15 14.50 Oral P-3 : Jutti Levita Inhibitors of Tyrosinase
Enzyme and Alpha-Melanocyte Stimulating Hormone from Zingiberaceae
plants for Depigmentation Agents Discovery
Oral P-25 : Zeta Tamimi In Silico Analysis of Sea Cucumber
Bioactive Compounds Mechanism as Anti-Breast Cancer Activity Using
AutoDock and Vina
Oral P-106 : Serap Yilmaz Computational Drug Design Studies for
Multidrug Resistance AcrAB-TolC Efflux Pump Inhibitors on
Escherichia Coli
14.50 15.05 Coffee Break Poster session
Moderator : Assoc Prof. Rahmana Emran Kartasasmita
15.05 15.35 Invited Speaker 8 : Prof. Sharifuddin Md Zain
Improving The Binding of Ankyrin on the Envelope Protein of Dengue
Virus Type II by Computational Alanine Scanning on Important
Residues
ORAL SESSION
15.35 16.10 Oral P-14 : Maywan Hariono Computational Design of
Dengue Type-2 NS2B/NS3 Protease Inhibitor: 2D/3D QSAR of Quinoline
and its Molecular Docking Studies Oral P-18 : Didik Utomo
Development of Indonesian Database for Drug Discovery (ID3) Oral
P-80 : Wei Lim Chong Computational Designing Ankyrin that
Recognises Envelope Protein of Dengue Virus II from MD
Simulations
16.10 16.45 Oral P-36 : Afsaneh Faridchehr Nano Biotechnology
Survey of Anticancer Properties on Durian Fruit Using Ab-Initio
Methods
Oral P-63 : Zohreh Yousefian Molla NMR Shielding and
Thermodynamic DFT Studies of Solvent Effect on Boron Nano Cones of
BN-X Complexes, (X=Arginine, Glutamine, Methionine)
Oral P-103 : Akbar Elsagh The Interaction of Single Walled
Carbon Nanotube (Swcnt) with Phospholipids of Skin Membrane : In
Point View of Solvent Effect
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Wednesday, 24 September 2014
Place : Grand Ball Room
Moderator : Prof. Sun Choi
08.30 09.30 Plenary Speaker 3 : Prof. Ismail Yalcin Computer
Aided Molecular Modeling of The Binding Site and GSH Conjugation
Features of The New Human GST P1-1 Inhibitors
09.30 10.30 Plenary Speaker 4 : Prof. Dr. Herbert Urbassek
Enhancing Protein Adsorption Simulations by Accelerated Molecular
Dynamics
10.30 10.45 Coffee Break Poster Session
Moderator : Assoc. Prof. Vannajan S. Lee
10.45 11.15 Invited Speaker 9 : Prof. Fatma Kandermirli The
Quantum Chemical Studies on Inhibition Effect of Glycine and
Tyrosine on Metal Corrosion in Acid Solutions
ORAL SESSION
11.15 11.50 Oral P-7 : Can Dogan Vurdu Investigation of H(2H) --
Pt(111) Interaction System: Using Density Functional Method Oral
P-11 : Muhammet Serdar Cavus Determination of Potential Energy
Surface of Interaction of H (2H) with Al(111) Using Density
Functional Methods
Oral P-23 : Paulus Himawan Surface Interaction between Ethylene,
Hydroxide Ion, and Titanium Dioxide Anatase (001): A First
Principle Density Functional Theory Study
11.50 12.25 Oral P-70 : Novriana Sumarti Numerical Analysis on
The Stability Behavior of a Dynamical System on The Deposit and
Loan of a Bank Oral P-83 : Dea Daniella Wangsawijaya Finite Volume
Method for Two-Dimensional Steady, Incompressible, and Viscous
Cavity Flow Oral P-91 : Intan Muchtadi Alamsyah Implementation of
Finite Field Arithmetic Operations for Polynomial and Normal Basis
Representations
12.25 13.25 Lunch
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Wednesday, 24 September 2014
Place : Grand Ball Room
Moderator : Assoc Prof. I Made Agus Gelgel Wirasuta
13.25 13.55 Invited Speaker 12 : Prof. Harno D. Pranowo Modeling
of Some Cation-18-Crown Ether Complexes: From Semi-Empirical Method
to Density Functional Theory
13.55 14.20 Oral P-114 : Lilin Lalita Structural Study of
Chalcogenide Material Ge-Te-Ga using Ab Initio Molecular Dynamics
Oral P-122 : Fergyanto E. Gunawan A Frequency Domain Inverse Method
for Dynamic Force Reconstruction
14.20 14.35 Closing Preparation
14.35 14.50 Coffee Break
14.50 15.30 Announcement of Best Posters and Closing
Ceremony
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Wednesday, 24 September 2014
Place : Agung Room
Moderator : Dr. Supat Jiranusornkul
10.45 11.15 Invited Speaker 10 : Sharon D. Bryant, Ph.D Advanced
Pharmacophores in Drug Discovery
ORAL SESSION
11.15 11.50 Oral P-31 : La Ode Aman QSAR Study of Quinazoline
Derivatives as Anti Cancer Agent Oral P-76 : Murat Alper Basaran
The Structure Toxicity Relationships for Para-Substituted Phenols
on Tetrahymena Pyriformis Oral P-92 : Pathomwat Wongrattanakamon
Prediction of Modulatory Effects of Flavonoids on P-glycoprotein by
Multiple Linear Regression Analysis
11.50 12.25 Oral P-24 : Rezi Riadhi Syahdi Database of Compounds
from Indonesia Sea Cucumbers Oral P-97 : Andry Alamsyah Reducing
Computational Complexity of Network Analysis using Graph
Compression Method for Brand Awareness Effort Oral P-111 : Rudy
Agustriyanto Model Identification of Continuous Fermentation under
Noisy Measurements
12.25 13.25 Lunch
Moderator : Enade P. Istyastono, Ph.D.
13.25 13.55 Invited Speaker 13 : Prof. Roberd Saragih
Computation Problems in Model Order Reduction in Bilinear
System
13.55 14.35 Oral P-19 : Reza Rasoolzadeh Nanobiological Studies
on Drug Design by MM/QM Methods
Oral P-88 : Chai Fung Chin Epitope Mapping of Salmonella
enterica serovar Typhi Hemolysin E (HlyE) Using Combinatorial Phage
DisplayTechnology and Bioinformatics Tools
Oral P-116 : Ezatul Ezleen Kamarulzaman Hits To Lead
Identification of Potential Malaysian Plants for Anti-Dengue
Protease Inhibitors
14.35 14.50 Coffee Break
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Wednesday, 24 September 2014
Place : Batukaru Room
Moderator : Assoc. Prof. Jutti Levita
10.45 11.15 Invited Speaker 11 : Dr. Rukman Hertadi Estimating
Factors Determining Halotolerant Property of Bacteria and Proteins
: Bioinformatics and Molecular Dynamics Simulation Studies
ORAL SESSION
11.15 11.50 Oral P-20 : Kai Sing Yong Docking of Dengue NS2B-NS3
Protease with Murraya koenigii Oral P-79 : Fikry Awaluddin
Molecular Docking Studies of Flavonoids of Noni Fruit (Morinda
citrifolia L) to Peroxisome Proliferator-Activated Receptor - Gamma
(PPAR) Oral P-113 : Suriyati Mohamad Molecular Modelling as A Proof
Of Concept for In Vitro Anti-Tuberculosis Activitty of Eurycoma
Longifolia
11.50 12.25 Oral P-77 : Vertika Gautam Computational Alanine
Scanning Mutagenesis: Characterizing The hotspots of Kinase and
Ankyrin Repeat Complex Oral P-81 : Hana Abdul Molecular Dynamics
Simulation on Designed Antibodies of HIV-1 Capsid Protein (P24)
Oral P-115 : Rina Herowati Interaction Study of Acalypha indicas
Chemical Constituents and Cyclooxygenase-2
12.25 13.25 Lunch
Moderator : Dr. Can Dogan Vurdu
13.25 13.55 Invited Speaker 14 : Prof. Habibah A. Wahab Insight
of Drug-Target Mechanisms from Molecular Dynamics Simulations
13.55 14.35 Oral P-21 : Jamshid Mehrzad Determination of Body
Temperature Based on Potential Energy Variations of Proteins : A
Computational Study
Oral P-29 : Farnoush Naghsh Nano Drug Delivery Study of
Anticancer Properties on Ginger using QM/MM Methods Oral P-43 :
Hassan Rahmati Kukandeh Build and Quantumic Study of Flat
Nanocapacitors with Graphene & BN Plates to Increasing
Capacity
14.35 14.50 Coffee Break
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List of Sp
eakers
12
1. Keynote Speaker Federico Gago Bridging The Experiment-Theory
Gap in Pharmacology through Computation
2. Plenary Speaker 1 Thierry Langer Pharmacophores and their
Efficient Use in Lead Discovery and Optimization
3. Plenary Speaker 2 Majid Monajjemi BnNn (Rotor) and BN
(-, 0, +) B (stator) as a Detector for Biological Molecules: A
Quantum Rotatory System in an IR Region
4. Plenary Speaker 3 Ismail Yalcin, Tugba Ertan-Bolelli, Yaman
Musdal, Kayhan Bolelli, Serap Yilmaz, Yasemin Aksoy, Bengt
Mannervik, Ilkay Yildiz, Esin Aki-Yalcin Computer Aided Molecular
Modeling of the Binding Site and GSH Conjugation Features of the
New Human GST P1-1 Inhibitors
5. Plenary Speaker 4 Herbert M. Urbassek, Christian Mcksch
Enhancing Protein Adsorption Simulations by Accelerated Molecular
Dynamics
6. Invited Speaker 1 Yoonji Lee, Lak Shin Jeong, Changbong
Hyeon, Sun Choi Molecular Modeling and Computer-Aided Drug
Discovery of Adenosine Receptor using Multiple Receptor
Conformations and Network Analysis
7. Invited Speaker 2 Esin Aki, Tugba Ertan-Bolelli, Kayhan
Bolelli, Serap Yilmaz, Ozum Ozturk, Tugba Taskin-Tok, Andry Nur
Hidayat, Ilkay Yildiz, Ismail Yalcin Anticancer Drug Design Studies
using Molecular Modeling Techniques
8. Invited Speaker 3 Yuta Negishi, Yohei Miura, Naoki Yoshioka
Synthesis of Porphyrin Dyes with Different meso-Substituent and
Their Application for DSSC
9. Invited Speaker 4 Solmaz Nasirvand Shaker, Karim Zare
Complexation Thermodynamics of Dioxovanadium(V) by
p-Sulphonato-calix[6]arene in Aqueous Solution
10. Invited Speaker 5 Arry Yanuar Virtual Screening of
Indonesian Herbal Database (HerbalDB) to HIV-1 Target Proteins
11. Invited Speaker 6 Supat Jiranusornkul, P. Thananyaphokin, C.
Kraunuan, J. Ruangsuriya, C. Saenjum, S. Charumanee Molecular
Models for Prediction of Estrogenic Binding Activity of Cissus
quadrangularis Extracts
12. Invited Speaker 7 Vannajan S. Lee, Tanchanok Wisitponchai,
Wei Lim Chong, Sharifuddin Md. Zain, Warachai Praditwongwan,
Somphot Saoin, Sawitree Nangola, Chatchai Tayapiwatana Designed
Ankyrin-Repeat Protein for Viral Assembly Interruption
13. Invited Speaker 8 Wei Lim Chong, Sharifuddin M. Zain,
Noorsaadah Abd. Rahman, Rozana Othman, Piyarat Nimmanpipug,
Tanchanok Wisitponchai, Chatchai Tayapiwatana, Vannajan Sanghiran
Lee Improving the Binding of Ankyrin on The Envelope Protein of
Dengue Virus Type II by Computational Alanine Scanning on Important
Residues
14. Invited Speaker 9 Fatma Kandermirli, Mohammed A. Amin,
Ghaidaa S. Al-Osaimi, Murat Saracoglu, Can Doan Vurdu The Quantum
Chemical Studies on Inhibition Effect of Glycine and Tyrosine on
Metal Corrosion in Acid Solutions
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List
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Spe
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13
15. Invited Speaker 10 Sharon D. Bryant Advanced Pharmacophores
in Drug Discovery
16. Invited Speaker 11 Rukman Hertadi, Mukhamad Asyari, Dedi
Agus Setiawan, Fadli Ramadhan, Mei Pakpahan Estimating Factors
Determining Halotolerant Property of Bacteria and Proteins :
Bioinformatics and Molecular Dynamics Simulation Studies
17. Invited Speaker 12 Harno D. Pranowo, S. Hadisaputra, R.
Armunanto Modeling of Some Cation-18-Crown Ether Complexes: From
Semi-Empirical Method to Density Functional Theory
18. Invited Speaker 13 Roberd Saragih Computation Problems in
Model Order Reduction in Bilinear System
19. Invited Speaker 14 Habibah A. Wahab Insight of Drug-Target
Mechanisms from Molecular Dynamics Simulations
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List of O
ral P
articipan
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14
1. P-3 Karina Muthia, Fride Rindu Alami, Nyi Mekar Saptarini,
Jutti Levita Inhibitors of Tyrosinase Enzyme and Alpha-Melanocyte
Stimulating Hormone from Zingiberaceae Plants for Depigmentation
Agents Discovery
2. P-7 Can D. Vurdu, M. Serdar Cavus, Fatma Kandemirli
Investigation of H(2H) -- Pt(111) Interaction System: Using Density
Functional Methods
3. P-10 M. Muchtaridi, Ady Aliyudin, Holis A. Holik Potential
Activity of Some Herbal Compounds as Neuraminidase Inhibitors Based
on Molecular Modelling Studies
4. P-11 M. Serdar Cavus, Can D. Vurdu, Fatma Kandemirli
Determination of Potential Energy Surface of Interaction of H (2H)
with Al(111) using Density Functional Methods
5. P-13 Tugba Ertan-Bolelli, Ismail Yalcin, Yaman Musdal, Kayhan
Bolelli, Serap Yilmaz, Ozum Ozturk, Yasemin Aksoy, Bengt Mannervik,
Ilkay Yildiz, Esin Aki-Yalcin Molecular Docking Studies on Human
Glutathione S-transferase Enzyme (hGSTP1-1)
6. P-14 Maywan Hariono, Ezatul E. Kamarulzaman, Habibah A. Wahab
Computational Design of Dengue Type-2 NS2B/NS3 Protease Inhibitor:
2D/3D QSAR of Quinoline and its Molecular Docking Studies
7. P-18 Didik H. Utomo, Marselina I. Tan, Rukman Hertadi, Zeily
Nurachman Development of Indonesian Database for Drug Discovery
(ID3)
8 P-19 M. Mousavi, R. Rasoolzadeh Nanobiological Studies on Drug
Design by MM/QM Methods
9. P-20 Kai Sing Yong, Sy Bing Choi, Habibah A. Wahab Docking of
Dengue NS2B-NS3 Protease with Murraya koenigii
10. P-21 Jamshid Mehrzad, Mahdieh Mohammaditabr Determination of
Body Temperature Based on Potential Energy Variations of Proteins :
A Computational Study
11. P-23 Paulus Himawan, Ganes Shukri, Mohammad Kemal Agusta,
Hermawan K. Dipojono, Nugraha Surface Interaction between Ethylene,
Hydroxide Ion, and Titanium Dioxide Anatase (001): A First
Principle Density Functional Theory Study
12. P-24 Rezi Riadhi Syahdi, Arry Yanuar, Zeta Tamimi Database
of Compounds from Indonesia Sea Cucumbers
13. P-25 Arry Yanuar, Yasman, Rezi Riadhi S., Zeta Tamimi In
Silico Analysis of Sea Cucumber Bioactive Compounds Mechanism as
Anti-Breast Cancer Activity using AutoDock and Vina
14. P-26 Arry Yanuar, Rezi Riadhi S., Widya Dwi A. AutoDock Vina
Parameter Optimization for Virtual Screening Validation of HIV-1
Integrase using A Directory of Useful Decoys Database
15. P-29 Farnoush Naghsh Nano Drug Delivery Study of Anticancer
Properties on Ginger using QM/MM Methods
16. P-31 La Ode Aman, Widisusanti Abdulkadir QSAR Study of
Quinazoline Derivatives as Anti Cancer Agent
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List
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17. P-36 Afsaneh Faridchehr Nano Biotechnology Survey of
Anticancer Properties on Durian Fruit using Ab-Initio Methods
18. P-43 Hassan Rahmati Kukandeh Build and Quantumic Study of
flat nanocapacitors with Graphene & BN Plates to increasing
capacity
19. P-56 F. Fathurrahman, E. Alfianto, H. K. Dipojono, M. A.
Martoprawiro Acceleration of Norm-Conserving Pseudopotential
Plane-Wave-Based DFT Calculation on GPU using CUDA
20. P-63 Nasim Shadmani, Karim Zare, Zohreh Yousefian
Thermodynamic Studies of p-Sulfonatocalix[4]arene and W (VI)
Complex in Aqueous
Solution 21. P-68 Muhammad Arba, Maria I. Iwo, Rahmana E.
Kartasasmita, Daryono H. Tjahjono
Investigation of Cationic Porphyrin-Anthraquinone as Novel
Potential Hsp90 Inhibitor: A Computational Study
22. P-70 Novriana Sumarti, Hamzah Fansuri Numerical Analysis on
The Stability Behavior of a Dynamical System on The Deposit and
Loan of A Bank
23. P-71 Rifky Syariati, Endi Suhendi, Fatimah Arofiati Noor,
Khairurrijal Modeling of Tunneling Field-Effect Transistor (TFET)
Based on Strained Armchair Graphene Nanoribbons (AGNRs)
24. P-76 M. Alper Baaran, Gkhan Sayiner, Can D. Vurdu, M. Serdar
Cavus, Fatma Kandemirli The Structure Toxicity Relationships for
Para-Substituted Phenols on Tetrahymena Pyriformis
25. P-77 Vertika Gautam, Wei Lim Chong, Sharifuddin M. Zain,
Noorsaadah Abd. Rahman, Vannajan Sanghiran Lee Computational
Alanine Scanning Mutagenesis: Characterizing the Hotspots of Kinase
and Ankyrin Repeat Complex
26. P-79 Fikry Awaluddin, Andrianopsyah Mas Jaya Putra,
Supandi
Molecular Docking Studies of Flavonoids of Noni Fruit (Morinda
citrifolia L.) to Peroxisome Proliferator-Activated Receptor -
Gamma (PPAR)
27. P-80 Wei Lim Chong, Sharifuddin M. Zain, Noorsaadah Abd.
Rahman, Rozana Othman, Shatrah Binti Othman, Piyarat Nimmanpipug,
Chatchai Tayapiwatana, Vannajan Sanghiran Lee Computational
Designing Ankyrin that Recognises Envelope Protein of Dengue Virus
II from MD Simulations
28. P-81 Hana Atiqah Abdul Karim, Chatchai Tayapiwatana, Piyarat
Nimmanpipug, Sharifuddin Md. Zain, Noorsaadah Abdul Rahman,
Vannajan Sanghiran Lee Molecular Dynamics Simulation on Designed
Antibodies of HIV-1 Capsid Protein (p24)
29. P-83 Dea Daniella Wangsawijaya, Yohanes Bimo Dwianto, M.
Agoes Moelyadi Finite Volume Method for Two-Dimensional Steady,
Incompressible, and Viscous Cavity Flow
30. P-88 Chai Fung Chin, Eugene Boon Beng Ong, Asma Ismail,
Theam Soon Lim Epitope Mapping of Salmonella enterica serovar Typhi
Hemolysin E (HlyE) using Combinatorial Phage Display Technology and
Bioinformatics Tools
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List of O
ral P
articipan
ts
16
31. P-89 Muhammad S. Zubair, Khalid O Al-Footy, Walied M.
Alarif, Ahmed Abdel-Lateef, Seif-Eldin N. Ayyad, Abdullah M.
Asiri
Cembranoid Diterpenes as Antitumor : Molecular Docking Study to
Several Protein Receptor Targets
32. P-91 Mirza Maulana, Wenny Franciska Senjaya, Budi Rahardjo,
Intan Muchtadi-Alamsyah, Marisa W. Paryasto Implementation of
Finite Field Arithmetic Operations for Polynomial and Normal Basis
Representations
33. P-92 P. Wongrattanakamon, P. Nimmanpipug, S. Jiranusornkul
Prediction of Modulatory Effects of Flavonoids on P-glycoprotein by
Multiple Linear Regression Analysis
34. P-93 S. Chaichit, D. Hongwiset, S. Jiranusornkul Binding
Models of Polyphenols to Cytochrome P450 2C9: A Molecular Docking
Study
35. P-95 Iltizam Nasrullah, Rahmana Emran Kartasasmita, Sophi
Damayanti Prediction of Hazard Identification and Characterization
of Several Compounds Used as Food Additives Applying In Silico
Methods
36. P-97 Andry Alamsyah, Yahya Peranginangin, Budi Rahardjo,
Intan Muchtadi-Alamsyah Reducing Computational Complexity of
Network Analysis using Graph Compression Method for Brand Awareness
Effort
37. P-103 Akbar Elsagh The Interaction of Single Walled Carbon
Nanotube (SWCNT) with Phospholipids of Skin Membrane: in Point View
of Solvent Effect
38. P-104 Burak Kandemirli, Can Doan Vurdu, M. Serdar avu
Theoretical Calculations of The pKa Values of Glyciene, Cysteine,
Proline and Selenocysteine
39. P-106 Serap Yilmaz, Tugba Ertan-Bolelli, Kayhan Bolelli,
Ozum Ozturk, Sanaz Ataei, Ilkay Yildiz, Esin Aki-Yalcin, Ismail
Yalcin Computational Drug Design Studies for Multidrug Resistance
AcrAB-TolC Efflux Pump Inhibitors on Escherichia coli
40. P-109 Irwansyah, Intan Muchtadi Alamsyah, Ahmad Muchlis,
Aleams Barra, Djoko Supriyanto Construction of -Cyclic Codes over
an Algebra of Order 4
41. P-111 Rudy Agustriyanto Model Identification of Continuous
Fermentation under Noisy Measurements
42. P-112 Fauzan Zein Muttaqin, Slamet Ibrahim, Abdul Muthalib,
Daryono H. Tjahjono Toxicity Prediction of
Meso-5,15-di[3,4-bis(carboxymethylenoxy)phenyl] Porphyrin and
Meso-5,15-di[3,4-bis(carboxymethylenoxy)phenyl],10,20-diphenyl
Porphyrin
43. P-113 Suriyati Mohamad, Habibah A. Wahab, Muhammad Yusuf,
Ezatul Ezleen Kamarulzaman, Thaigarajan Parumasivam Molecular
Modelling as A Proof of Concept for In Vitro Anti-Tuberculosis
Activity of Eurycoma Longifolia
44. P-114 L. Lalita, H.K. Dipojono, M.A.Martoprawiro Structural
Study of Chalcogenide Material Ge-Te-Ga using Ab Initio Molecular
Dynamics
45. P-115 Rina Herowati, Demetria Ulin, Gunawan Pamudji Widodo
Interaction Study of Acalypha indicas Chemical Constituents and
Cyclooxygenase-2
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of
Ora
l Par
tici
pan
ts
17
46. P-116 Ezatul Ezleen Kamarulzaman, Habibah A. Wahab Hits To
Lead Identification of Potential Malaysian Plants for Anti-Dengue
Protease Inhibitors
47. P-122 Fergyanto E. Gunawan A Frequency Domain Inverse Method
for Dynamic Force Reconstruction
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18
List of P
oster P
articipan
ts
1. P-5 Mahmut Gr, Can Doan Vurdu, M. Serdar avu, Gkhan Sayiner,
Fatma Kandemirli Theoretical UV Study Azo-Ester Derivatives
2. P-6 Halit Mulu, Can Doan Vurdu, Gkhan Sayiner, Fatma
Kandemirli Synthesis and Theoretical Study of Thiadiazole
Derivatives
3. P-12 Kayhan Bolelli, smail Yalcin, Tugba Ertan-Bolelli, Serap
Yilmaz, Ozum Ozturk, Ilkay Yildiz, Esin Aki-Yalcin Pharmacophore
Identification Analysis hGST P1-1 Enzyme Inhibitory Active
Benzazole Derivatives
4. P-15 Glhan Turan-Zitouni, Zafer Asm Kaplanckl, Ahmet zdemir,
Leyla Yurtta, zgr Devrim Can, mide Demir zkay Synthesis and
Pharmacological Activity Evaluation of Some New Acetic Acid
Derivatives on Central Nervous System
5. P-22 Wahyu Fitriana, Achmad Fahry, Arry Yanuar Stability of
Analogues Triclosan in Varied Temperatures through MM-PBSA
Calculations
6. P-28 Takatada Saito, Saiga Tajima, Youhei Miura, Naoki
Yoshioka Computational Study and Magneto-Structual Correlation in
the Crystal of Nitronyl Nitroxide Derivative Having Thiadiazolo
Moiety
7. P-34 Nursamsiar, Slamet Ibrahim, Daryono Hadi Tjahjono
Absorption, Distribution and Toxicity Prediction of Curculigoside A
and its Derivatives
8. P-35 Behnaz Bonsakhteh Nano Drug Delivery Study of Anticancer
Properties of Some Effective Molecules on Jackfruit: Using ab
initio & QM/MM Methods
9. P-37 Elaham Shabanzadeh, Mohammad Mahmoodi Hashemi Blood
Sugar-lowering Properties of Hydraulic Extract of Cotton Boll using
Nano Drug Delivery
10. P-38 Roghieh Tarlani Bashiz, Mohammad Mahmoodi Hashemi
Investigation of Tautomeric Amide-imide Sulfonamide Antibiotic
Drugtarget Interactions using Nano Biotechnology
11. P-39 Ida Musfiroh, Ita Puspitasari, Ahmad Muhtadi, R.E
Kartasasmita, Slamet Ibrahim Acetylation of Asiatic Acid and Its
ADMET Prediction
12. P-40 Nayyer.T. Mohammadian Gas Molecule and Cation
Adsorption on Carbon Nanotubes
13. P-41 Fatemeh Alemi Tameh, Mohammad Mahmoodi Hashemi Monte
Carlo Simulation of Magnetic Nanoparticles Such As Fe3O4 and Fe2O3
: Using Catalysts in Synthesis of Some Heterocyclic Compounds for
Multicomponent Reactions
14. P-42 Zahra Felegari Harmonic Linear Combination and Normal
Mode Analysis of Some Nanostructures
15. P-45 Lina Nurfadhila, Nursamsiar, Iman S. Pratama, Aiyi
Asnawi Study on CCR5 Receptor Antagonists as an Anti-Prostate
Cancer: Inhibition Activity, QSAR, and Molecular Docking
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List
of
Po
ster
Par
tici
pan
ts
19
16. P-46 Tasia Amelia, Dina Pratiwi, Romsiah In Silico Study of
The Components of Eleutherine americana MERR. on Human Estrogen
Reseptor Alpha as Potential Anti-Breast Cancer
17. P-49 Sandra Megantara, Jutti Levita, Slamet Ibrahim In
Silico Study of Andrographolide, Neoandrographolide and
Andrograpanin as Protease Inhibitors for Antimalarial Drug
Discovery
18. P-50 Ruslin, Rahmana Emran Kartasasmita, Marlia Singgih
Wibowo, Slamet Ibrahim Molecular Docking of Leonurine and Its
Derivatives on Phospodiesterease-5
19. P-52 Enade P. Istyastono, Yulia Anita, Andini Sundowo
Computer-aided Structure-based Design of
3,3'-Diallyl-[1,1'-biphenyl]-4,4'-diol Analogs as Potential Ligands
for Estrogen Receptor Alpha
20. P-57 Akbar Mehrabi Nejad DFT Study and Monte Carlo
Simulation of Local Nano Chemical Cells
21. P-58 Yee Siew Choong, Nik Nur Syazana bt Nik Mohamed Kamal,
Theam Soon Lim, Gee Jun Tye Molecular Modelling of Methadone in
CYP2B6, CYP2D6 and CYP3A4
22. P-64 Asmiyenti Djaliasrin Djalil, Susanti Electronic Spectra
Prediction of mesoTetraphenylchlorin and
meso-Tetraphenylporphine
23. P-65 Mohammad S. Khalilimofrad Features of Parametric Point
NMR of Medicinal drug Implantation on Carbon Nanotube by DFT
24. P-82 Murat Saracoglu, Fatma Kandemirli, Mohammed A. Amin,
Can Dogan Vurdu, Muhammet Serdar Cavus The Quantum Chemical
Calculations of Some Thiazole Derivatives
25. P-84 Hubbi Nashrullah Muhammad, Sophi Damayanti, Daryono
Hadi Tjahjono Interactions of Porphyrin-Acridine Hybrids to DNA
Duplexes and Quadruplex
26. P-85 Endi Suhendi, Rifky Syariati, Fatimah A. Noor, Neny
Kurniasih, Khairurrijal Modeling of Dirac Electron Tunneling
Current in Bipolar Transistor Based on Armchhair Graphene
Nanoribbon using a Transfer Matrix Method
27. P-87 Rimadani Pratiwi, Slamet Ibrahim, Daryono Hadi Tjahjono
Complexes Formation of Porphyrin Derivatives with Lead: Preliminary
Computational Study of Porphyrin as Analytical Reagent
28. P-103 Akbar Elsagh, Karim Zare NBO, NQR, and NMR
Investigation of Calix-Aren Family in Point View of Nano-drug
Delivery: A Monte Carlo and QM/MM Study
29. P-110 Ozum Ozturk, Esin Aki-Yalcin, Tuba Ertan-Bolelli,
Kayhan Bolelli, Serap Yilmaz, lkay Yildiz, smail Yalcin Common
Feature Pharmacophore Generation of Neurokinin-1 Receptor
Antagonists
30. P-118 Fransiska Kurniawan, Rahmana E. Kartasasmita, Daryono
Hadi Tjahjono Pyrazolylporphyrin Derivatives as New Potential
Ligand for Melanoma Cancer Radiopharmaceutical Kit: In Silico
Study
31. P-119 Firdayani, Arry Yanuar, Ade Arsianti, Churiyah Virtual
Screening of Quinone Compounds in order to Design A Potential Drug
Candidate as Antihepatitis B Agent
32. P-120 Elrade Rofaani, Rian Triana, Firdayani, Chaidir
Molecular Modelling Study of Catechin and Its Derivatives into
Reverse Transcriptase HIV-1
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20
List of P
oster P
articipan
ts
33. P-121 Andri Septian, Andhika B. Mahardhika, Kusnandar
Anggadiredja, Sophi Damayanti Hybrid of Tacrine and AZD3839 as
Multi Target Directed Ligands in Treatment of Alzheimer's Disease
using In Silico
34. P-123 Susi Kusumaningrum, Soleh Kosela, Wahono Sumaryono,
Emil Budianto, Alfan Danny Arbianto Modification Structure and
Virtual Screening of Naphthoquinone Derivatives using Molegro
Virtual Docker on Polo-like Kinase 1 as Anticancer Agent
35. P-124 Arjon Turnip, Dwi Esti Kusumandari Artifacts Removal
of EEG Signals using Adaptive Principal Component Analysis
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CO
MM
ITTE
E
21
Honorary Advisory Board
Rector of ITB Vice Rector for Research and Innovation of ITB
Advisory Board
Prof. Hermawan K. Dipoyono (ITB, Indonesia) Prof. Ismail Yalcin
(Ankara Univ., Turkey) Assoc. Prof. Muhamad A. Martoprawiro (HKI,
Indonesia) Prof. Majid Monajjemi (IAU, Iran) Prof. Slamet Ibrahim
S. (ITB, Indonesia) Prof. Umar Anggara Jenie (Perakmi, Indonesia)
Prof. Abdolhossein Rustaiyan (IAU, Iran) Prof. Norio Matsushima
(Sapporo Medical Univ., Japan) Prof. Khairurrijal (ITB, Indonesia)
Prof. Fatma Kandermili (Kostamonu Univ, Turkey) Prof. Naoki
Yoshioka (Keio Univ., Japan) Prof. Hashem Rafii Tabar (ISTM, Iran)
Prof. Morakot Sukchotiratana (Chiang Mai Univ., Thailand) Prof.
Supot Hannongbua (Chulalongkorn University, Thailand) Prof. Daryono
H. Tjahjono (ITB, Indonesia)
International Organizing Committee
Prof. Majid Monajjemi (IAU, Iran) Prof. Esin Aki (Ankara Univ.,
Turkey) Prof. Daryono Hadi Tjahjono (ITB, Indonesia) Prof. Habibah
A. Wahab (USM, Malaysia) Assoc. Prof. Vannajan S. Lee (UM,
Malaysia) Prof. Fatma Kandemirli (Kastamonu Univ., Turkey) Prof.
Sharifuddin Md. Zain (UM, Malaysia)
Scientific Committee
Prof. Khairurrijal (ITB, Indonesia; Chair) Assoc. Prof. Vannajan
S. Lee (UM, Malaysia) Assoc. Prof. Rahmana E. Kartasasmita (ITB,
Indonesia) Prof. Mohammad Reza Gholami (Sharif Univ. Tech., Iran)
Prof. Siswandono (Airlangga Univ., Indonesia) Prof. Harno D.
Pranowo (Gadjah Mada Univ., Indonesia) Prof. Karim Zare (Shahid
Beheshti Univ., Iran) Prof. Roberd Saragih (ITB, Indonesia) Prof.
Janez Mavri (Nat. Inst. Chem., Slovenia)
-
CO
MITTEE
22
Assoc. Prof. Arry Yanuar (Perakmi, Indonesia) Prof. Vildan Adar
(Hacettepe Univ, Turkey)
Publicity committee
Dr. rer.nat Sophi Damayanti (ITB, Indonesia) Dr. Supat
Jiranusornkul (CMU, Thailand) Dr. Can Dogan Vurdu (Kastamonu Univ.,
Turkey) Dr. E. Eghdami (IAU, Iran) Dr. Tugba Ertan-Bolelli (Ankara
Univ., Turkey) Dr. J. Mehrzad (IAU, Iran)
Local Organizing Committee
Chairman
Prof. Daryono Hadi Tjahjono
Secretary
Dr. rer. nat Sophi Damayanti Dr. Aiyi Asnawi Andhika Bintang
Mahardhika, M.Sc Feby Pramutadi, M.AB
Treasurer
Dr. Elin Julianti Fransiska Kurniawan, B. Pharm.
Onsite affairs
Dr. rer.nat I Made Agus Gelgel Wirasuta Ni Made Pitri Susanti,
M.Sc Ni Made Widi Astuti, M.Sc Pande Made Nova Amrita, M.Sc Oskar
Skarayadi, B.Sc
Public Relation
Assoc. Prof. Marlia Singgih W.
Sponsorship
Dr. Ilma Nugrahani Tursino M.Sc