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Molecular Simulation with Biophysical Applications

Author: Professor Qiang Cui
Url: http://kandinsky.chem.wisc.edu/~qiang/chem860_dir/lecture_notes.html
Format: Pdf
Category: Biological Physics, Molecular Dynamics
Pages: 150
Clicks: 1989

Topics: Molecular force field Minimization and normal mode analysis Periodic boundary condition; Ewald summation Molecular Dynamics (NVE;NPT) Monte Carlo (canonical; multicanonical; grandcanonical) Free energy perturbation and thermodynamic integration Implicit treatment of solvation effects Combined Quantum Mechanical/Molecular Mechanical methods and Car-Parrinello MD; Transition Path Sampling.

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