© 2009 Open Grid Forum Interoperability of HTC & HPC e-Science Infrastructures WISDOM - Improving the in-silico drug discovery process Morris Riedel (DEISA.
Grid Interoperability Through Standards Dr. Alistair Dunlop Project Manager.
Quantum pharmacology. Basics
Molecular Mechanics Force Fields Basic Premise If we want to study a protein, piece of DNA, biological membranes, polysaccharide, crystal lattice, nanomaterials,
Lecture 11: Potential Energy Functions Dr. Ronald M. Levy [email protected] Originally contributed by Lauren Wickstrom (2011) Statistical Thermodynamics.
Molecular Mechanics a. Force fields b. Energy minimization / Geometry optimization c. Molecular mechanics examples.
Molecular Mechanics Force Fields
Protein-Nucleic Acid Dynamics Ashok Kolaskar Vice Chancellor University of Pune Pune India.
