Direct methods for computing single-molecule entropies from molecular simulations

Wiley Interdisciplinary Reviews: Computational Molecular Science

Volumn 5, Issue 1, 2015, Pages 1-26

  Suárez, Dimas ^a   Díaz, Natalia ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; IMPORTANCE SAMPLING; MOLECULAR GRAPHICS; MOLECULAR STRUCTURE; MOLECULES;

COMPUTATIONAL ALGORITHM; CONFIGURATIONAL ENTROPY; CONFORMATIONAL ENTROPY; CONTINUOUS IMPROVEMENTS; MOLECULAR SIMULATIONS; NON-PARAMETRIC ESTIMATIONS; NONPARAMETRIC METHODS; THEORETICAL APPROACH;

CONFORMATIONS;

EID: 84919463511     PISSN: 17590876     EISSN: 17590884     Source Type: Journal    
DOI: 10.1002/wcms.1195     Document Type: Article

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