Computational Study of Geometry, Solvation Free Energy, Dipole Moment, Polarizability, Hyperpolarizability and Molecular Properties of 2-Methylimidazole

by Mohammad Firoz Khan, Ridwan Bin Rashid, Shahidul M. Islam, Mohammad A. Rashid
Published 2016-12-01

Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments.

by Rong Shen, Wei Han, Giacomo Fiorin, Shahidul M Islam, Klaus Schulten, Benoît Roux
Published 2015-10-01