Open AccessAutomated Markov state models for molecular dynamics simulations of aggregation and self-assembly
Author(s) -
Ushnish Sengupta,
Martín CarballoPacheco,
Birgit Strodel
Publication year - 2019
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5083915
Subject(s) - markov chain , molecular dynamics , markov model , protein aggregation , protein folding , computer science , amyloid (mycology) , molecular model , chemistry , statistical physics , computational biology , biology , physics , computational chemistry , machine learning , stereochemistry , biochemistry , inorganic chemistry
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