Constraint methods that accelerate free-energy simulations of biomolecules
نویسندگان
چکیده
منابع مشابه
Markov-Chain Monte Carlo Methods for Simulations of Biomolecules
The computer revolution has been driven by a sustained increase of computational speed of approximately one order of magnitude (a factor of ten) every five years since about 1950. In natural sciences this has led to a continuous increase of the importance of computer simulations. Major enabling techniques are Markov Chain Monte Carlo (MCMC) and Molecular Dynamics (MD) simulations. This article ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2015
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4936911