Many-body effects in systems of peptide hydrogen-bonded networks and their contributions to ligand binding: A comparison of the performances of DFT and polarizable molecular mechanics

Journal of Physical Chemistry B

Volumn 104, Issue 41, 2000, Pages 9746-9754

  Guo, Hong ^d   Gresh, Nohad ^a   Roques, Bernard P ^a   Salahub, Dennis R ^b,c  

^a Laboratoire de Pharmacochimie   (France)

^b UNIVERSITÉ DE MONTRÉAL   (Canada)

^c NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^d HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; HYDROGEN BONDS; MOLECULAR PHYSICS; PROBABILITY DENSITY FUNCTION; STABILIZATION; WATER;

LIGAND BINDING; METHYL FORMAMIDE; PEPTIDE;

AMINES;

EID: 0343442498     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0012247     Document Type: Article

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