Molecular Modeling Literature

Newtonian mechanics

Integrators in The Art of Computational Science

Molecular Dynamics, Structure Optimization, Forces calculations in Guanghua Gao thesis.

Bekker, Hendrik. Molecular dynamics simulation methods revised.

Monte Carlo

Hess, Berk. Stochastic concepts in molecular simulation.

Alexander P. Lyubartsev and Aatto Laaksonen. Inverse Monte Carlo.

Molecular Modeling

Edward J. Maginn. Molecular Modeling and Theory.

David Lai Gwai Cheung Ph.D Thesis.
Structures and Properties of Liquid Crystals and Related Molecules from Computer Simulation

Cameron Abrams
Molecular Simulation

Protein Structure

Course on protein structure and comparative modeling.

Principles of Protein Structure Using the Internet.
       Section 7 - Overview of Molecular Forces
       Section 8 - Protein Secondary Structure


Richard F.W. Bader Theory of Atoms in Molecules.






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