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JCC
2002
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13 years 4 months ago
Determination of the effective dielectric constant from the accurate solution of the Poisson equation
: Constant dielectric (CD) and distance-dependent dielectric (DDD) functions are the most popular and widespread in the Molecular Mechanics simulations of large molecular systems. ...
Vladislav Vasilyev
JCC
2002
79views more  JCC 2002»
13 years 4 months ago
Distance and exposure dependent effective dielectric function
: In an effort to develop a dielectric screening function for molecular dynamics simulations of biomolecules in implicit solvent, effective dielectric constants (Deff) for a large ...
Buddhadeb Mallik, Artëm Masunov, Themis Lazar...