Building Markov state models with solvent dynamics
نویسندگان
چکیده
منابع مشابه
Markov state models of biomolecular conformational dynamics.
It has recently become practical to construct Markov state models (MSMs) that reproduce the long-time statistical conformational dynamics of biomolecules using data from molecular dynamics simulations. MSMs can predict both stationary and kinetic quantities on long timescales (e.g. milliseconds) using a set of atomistic molecular dynamics simulations that are individually much shorter, thus add...
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ژورنال
عنوان ژورنال: BMC Bioinformatics
سال: 2013
ISSN: 1471-2105
DOI: 10.1186/1471-2105-14-s2-s8