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Molecular Mechanics Tutorial (PDF 77P)
This note covers the following topics: steric energy, enthalpy of formation, comparing steric energies, energy minimization, molecular dynamics, distance geometry and d to d model conversion, free energy perturbation theory (FEP), continuum solvation electrostatics, normal mode analysis, partial atomic charges.
Author(s): Thomas W. Shattuck, Department of Chemistry, Colby College
77 Pages 
This note explains the following topics:The Interaction between two Molecules, Interaction of Macroscopic Bodies, The Effective Interaction between two Molecules, Electrostatic Forces.
Author(s): Gunnar Karlstrom and Bo Jonsson
70 Pages
Molecular Modeling Lecture Notes
This lecture note explores a wide range of techniques and applications in molecular modeling and computational chemistry. Topics covered includes: ab Initio and Semi-Empirical Quantum Mechanics, Molecular Mechanics and Dynamics Simulation, Electrostatics, Coarse Graining Biomolecular Structure Prediction, Advanced Electrostatics for Force Fields, Molecular Dynamics Simulation, Monte Carlo Methods.
Author(s): Jay Ponder
NA Pages