Molecular dynamics simulations of membrane proteins under asymmetric ionic concentrations
نویسندگان
چکیده
منابع مشابه
Molecular dynamics simulations of membrane proteins under asymmetric ionic concentrations
A computational method is developed to allow molecular dynamics simulations of biomembrane systems under realistic ionic gradients and asymmetric salt concentrations while maintaining the conventional periodic boundary conditions required to minimize finite-size effects in an all-atom explicit solvent representation. The method, which consists of introducing a nonperiodic energy step acting on ...
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ژورنال
عنوان ژورنال: Journal of General Physiology
سال: 2013
ISSN: 1540-7748,0022-1295
DOI: 10.1085/jgp.201311014