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AMBER package molecular mechanics energy

The energy functions for folding simulations include atom-based potentials from molecular mechanics packages [164] such as CHARMM [81], AMBER [165], and ECEPP... [Pg.289]

D. M. Ferguson, G. L. Seibel, and P. A. Kollman, AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules, Comp. Phys. Comm. 91 1 (1995). [Pg.35]

D. Ferguson, G. Seibel, and P. Kollman, Comput. Phys. Commun., 91,1 (1995). AMBER, a Package of Computer Programs for Applying Molecular Mechanics, Normal Mode Analysis, Molecular Dynamics and Free Energy Calculations to Simulate the Structural and Energetic Properties of Molecules. [Pg.50]

See other pages where AMBER package molecular mechanics energy is mentioned: [Pg.334]    [Pg.379]    [Pg.119]    [Pg.178]    [Pg.249]    [Pg.65]    [Pg.314]    [Pg.199]    [Pg.269]    [Pg.414]    [Pg.58]    [Pg.353]    [Pg.353]    [Pg.290]    [Pg.386]    [Pg.362]    [Pg.17]    [Pg.205]    [Pg.1278]   


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