Exploiting molecular dynamics in Nested Sampling simulations of small peptides
نویسندگان
چکیده
منابع مشابه
Enhanced Conformational Sampling in Molecular Dynamics Simulations of Solvated Peptides: Fragment-Based Local Elevation Umbrella Sampling.
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ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 2016
ISSN: 0010-4655
DOI: 10.1016/j.cpc.2015.12.005