J. Phys. Chem. B 2010, 114, 2549–2564 2549 Current Status of the AMOEBA Polarizable Force Field Jay W. Ponder and Chuanjie Wu Department of Biochemistry and Molecular Biophysics,…
Slide 1 QM/MM Calculations and Applications to Biophysics Marcus Elstner Physical and Theoretical Chemistry, Technical University of Braunschweig Slide 2 Proteins, DNA, lipids…
Slide 1 Empirical energy function Summarizing some points about typical MM force field In principle, for a given new molecule, all force field parameters need to be derived…