Open AccessAssessment and optimization of collective variables for protein conformational landscape: GB1 β-hairpin as a case study
Author(s) -
Navjeet Ahalawat,
Jagannath Mondal
Publication year - 2018
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 - 10.1063/1.5041073
Subject(s) - energy landscape , context (archaeology) , folding (dsp implementation) , protein folding , computer science , curse of dimensionality , biological system , computational biology , statistical physics , physics , chemistry , biology , artificial intelligence , engineering , paleontology , electrical engineering , thermodynamics , nuclear magnetic resonance
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