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Science New target prediction and vizualization tools incorporating open source molecular fingerprints for.....

1. New Target Prediction and Visualization ToolsNew Target Prediction and Visualization Tools Incorporating Open Source Molecular FingerprintsIncorporating Open Source Molecular…

Science ISMB 2014 Poster: Systematic detection of internal symmetry in proteins

1.Case Studies! ! Glyoxalase I is a dimer in both C. acetobutylicum and E. coli. However, the arrangement of the chains is quite different. Detecting the C2 internal symmetry…

Technology Smashing Molecules

1.Smashing  Molecules  How  Molecular  Fragments  Allow  us  to  Explore  Large   Chemical  Spaces  Rajarshi  Guha  &  Trung  Nguyen   NIH  Center  for…

Education Molecular Representation, Similarity and Search

1.Molecular Representa/on,  Similarity and Search  Rajarshi Guha NIH Chemical Genomics Center  December 3rd, 2009  2. Outline  •  How can we represent molecules on a computer? …

Technology Estimating bioactivity database error rates, tiikkainen

1.| page 1P. Tiikkainen / Drug repurposing Estimating Error Rates in Bioactivity Databases Pekka Tiikkainen 6th Joint Sheffield Conference on Chemoinformatics July 24, 2013…

Health & Medicine BioVariance Research Services - Target Profile Prediction

BioVariance Research Services Off-target profile prediction for Drug Candidates Josef Scheiber, PhD www.biovariance.com BioVariance - Overview Two distinct offerings rooted…

Software USUGM 2014 - Miklós Szabó (ChemAxon): Analysis & Refinement in Evolution of the ChemAxon Product.....

Analysis and Refinement Miklos Szabo Linear vs. Iterative Workflows Á. Tarcsay and Gy. Keserű J. Med. Chem. 2013, 56, 1789−1795 Design Enumeration Filters Synthesis Biology…

Documents Chemoinformatics in Molecular Docking and Drug Discovery.

Slide 1 Chemoinformatics in Molecular Docking and Drug Discovery Slide 2 2 The Docking Problem Given: receptor binding pocket and ligand. Task: quickly find correct binding…

Documents N.SRIKANTH ASSISTANT DIRECTOR CENTRAL COUNCIL FOR RESEARCH IN AYURVEDIC SCIENCES D EPARTMENT OF...

Research initiatives in India and drug trails N.SRIKANTH ASSISTANT DIRECTOR CENTRAL COUNCIL FOR RESEARCH IN AYURVEDIC SCIENCES Department of AYUSH Ministry of Health &…

Documents Chemoinformatics in Molecular Docking and Drug Discovery

Chemoinformatics in Molecular Docking and Drug Discovery Chemoinformatics in Molecular Docking and Drug Discovery 2 The Docking Problem Given: receptor binding pocket and…