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Molecular dynamics free energy simulations: Influence of the truncation of long-range nonbonded electrostatic interactions on free energy calculations of polar molecules by Christophe Chipot; Claude Millot; Bernard Maigret; Peter A. Kollman

Author:Christophe Chipot; Claude Millot; Bernard Maigret; Peter A. Kollman , Date: March 5, 2022 ,Views: 38

Molecular dynamics free energy simulations: Influence of the truncation of long-range nonbonded electrostatic interactions on free energy calculations of polar molecules by Christophe Chipot; Claude Millot; Bernard Maigret; Peter A. Kollman

Author:Christophe Chipot; Claude Millot; Bernard Maigret; Peter A. Kollman
Format: pdf
Tags: FREE ENERGY; DIPOLES; CHEMICAL REACTIONS; WATER; METHANOL; ACETAMIDE; POLARIZABILITY; HYDRATION; COMPARATIVE EVALUATIONS; CORRECTIONS; LIQUID STRUCTURE; POTENTIALS; POINT CHARGE; HYDROGEN BONDS; SOLVATION; SIMULATION; MOLECULAR DYNAMICS CALCULATIONS; COULOMB FIELD
Published: 1999-07-08T04:23:11+00:00


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Molecular dynamics free energy simulations: Influence of the truncation of long-range nonbonded electrostatic interactions on free energy calculations of polar molecules by Christophe Chipot; Claude Millot; Bernard Maigret; Peter A. Kollman.pdf


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