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78
Voted
JCC
2002
74views more  JCC 2002»
14 years 8 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
62
Voted
JCC
2002
79views more  JCC 2002»
14 years 8 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...