Comparison of different schemes to treat long-range electrostatic interactions in molecular dynamics simulations of a protein crystal
Author:
Publisher
Wiley
Subject
Molecular Biology,Biochemistry,Structural Biology
Reference26 articles.
1. Computer simulation of molecular dynamics: methodology, applications and perspectives in chemistry;van Gunsteren;Angew Chem Int Ed Engl,1990
2. Molecular dynamics studies of solvated polypeptides: why the cut-off scheme does not work;Schreiber;Chem Phys,1992
3. A generalized reaction-field method for molecular dynamics simulations;Tironi;J Chem Phys,1995
4. A simple test for evaluating the truncation effects in simulations of systems involving charged groups;Auffinger;Chem Phys Letters,1995
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