(Q56794650)

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Calculation of the reaction field due to off-center point multipoles

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Calculation of the reaction field due to off-center point multipoles (English)

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Yong Kong

1

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author name string

Jay W. Ponder

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2

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English

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publication date

8 July 1997

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published in

Journal of Chemical Physics

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volume

107

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issue

2

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page(s)

481-492

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cites work

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21 January 2018

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

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A new method for computing the macromolecular electric potential.

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Calculations of electrostatic interactions in biological systems and in solutions

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Semianalytical treatment of solvation for molecular mechanics and dynamics

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Atomic-level accuracy in simulations of large protein crystals

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Water: now you see it, now you don't

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Just add water! The effect of water on the specificity of protein-ligand binding sites and its potential application to drug design

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21 January 2018

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10.1063/1.474409

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(Q56794650)

Calculation of the reaction field due to off-center point multipoles

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