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Engineering, Visual Molecular Dynamics, Molecular Biology +5

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 41.1K citations

Engineering, Liquid-liquid Flow, Fluid Mechanics +18

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

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