Solvation free energies of alanine peptides: The effect of flexibility

Journal of Physical Chemistry B

Volumn 117, Issue 51, 2013, Pages 16428-16435

  Kokubo, Hironori ^a   Harris, Robert C ^a   Asthagiri, Dilipkumar ^a,b   Pettitt, B Montgomery ^a  

^a University of Texas Medical Branch School of Medicine   (United States)

^b JOHNS HOPKINS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE PEPTIDE; ALTERNATIVE HYPOTHESIS; GLOBULAR PROTEINS; INTRAMOLECULAR ENERGY; INTRAMOLECULAR INTERACTIONS; SMALL MOLECULES; SOLVATION FREE ENERGIES; VAN DER WAALS INTERACTION ENERGY;

AMINO ACIDS; CONFORMATIONS; DIGITAL STORAGE; FREE ENERGY; HYDROGEN BONDS; PEPTIDES; SOLVATION;

VAN DER WAALS FORCES;

ALANINE; PEPTIDE; SOLVENT;

ARTICLE; CHEMISTRY; HYDROGEN BOND; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; THERMODYNAMICS;

ALANINE; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PROTEIN CONFORMATION; SOLVENTS; THERMODYNAMICS;

EID: 84891474903     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp409693p     Document Type: Article

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