A Rigorous and Efficient Method to Reweight Very Large Conformational Ensembles Using Average Experimental Data and to Determine Their Relative Information Content

Journal of Chemical Theory and Computation

Volumn 12, Issue 1, 2016, Pages 383-394

  Leung, Hoi Tik Alvin ^a   Bignucolo, Olivier ^b   Aregger, Regula ^c   Dames, Sonja A ^d,e   Mazur, Adam ^a   Bernèche, Simon ^b   Grzesiek, Stephan ^a  

^a UNIVERSITY OF BASEL   (Switzerland)

^b UNIVERSITY OF BASEL   (Switzerland)

^c UNIVERSITY OF LEIPZIG   (Germany)

^d TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^e INSTITUTE OF EPIDEMIOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

OLIGOPEPTIDE; PEPTIDE;

ALGORITHM; AMINO ACID SEQUENCE; CHEMISTRY; CLUSTER ANALYSIS; ENTROPY; METABOLISM; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE;

ALGORITHMS; AMINO ACID SEQUENCE; CLUSTER ANALYSIS; ENTROPY; MOLECULAR DYNAMICS SIMULATION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; OLIGOPEPTIDES; PEPTIDES;

EID: 84954411552     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.5b00759     Document Type: Article

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