Molecular Dynamics Simulations of Ion Channels
نویسندگان
چکیده
منابع مشابه
Reservoir boundaries in Brownian dynamics simulations of ion channels.
Brownian dynamics (BD) simulations provide a practical method for the calculation of ion channel conductance from a given structure. There has been much debate about the implementation of reservoir boundaries in BD simulations in recent years, with claims that the use of improper boundaries could have large effects on the calculated conductance values. Here we compare the simple stochastic boun...
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ژورنال
عنوان ژورنال: Trends in Biochemical Sciences
سال: 2021
ISSN: 0968-0004
DOI: 10.1016/j.tibs.2021.04.005