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Molecular Mechanics Tutorial (PDF 77P)
by
Thomas
W. Shattuck, Department of Chemistry, Colby College
File Type :PDF
Number of Pages :77
Description
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.
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