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Cover Image, Volume 37, Issue 6
Publication year - 2016
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.24329
Subject(s) - cover (algebra) , sampling (signal processing) , computer science , volume (thermodynamics) , citation , folding (dsp implementation) , energy (signal processing) , data science , energy landscape , information retrieval , library science , statistics , chemistry , mathematics , engineering , physics , computer vision , mechanical engineering , biochemistry , electrical engineering , filter (signal processing) , quantum mechanics
The cover depicts several representative applications of advanced sampling methods for molecular simulations, including exploring glass‐like rough energy landscapes (DOI 10.1002/jcc.24039 ), calculating free energy surfaces based on advanced energy functions (DOI: 10.1002/jcc.24227 ), and predictive modeling of protein folding and binding (DOIs: 10.1002/jcc.23964 and 10.1002/jcc.24004 ). In all cases, advanced sampling methods play a pivotal role in obtaining rigorous results.