Parmbsc1: a refined force field for DNA simulations

Comparison of simple potential functions for simulating liquid water

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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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Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

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Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

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