Enthalpic Breakdown of Water Structure on Protein Active-Site Surfaces

Journal of Physical Chemistry B

Volumn 120, Issue 34, 2016, Pages 8743-8756

  Haider, Kamran ^a   Wickstrom, Lauren ^b   Ramsey, Steven ^a,d   Gilson, Michael K ^c   Kurtzman, Tom ^a,d  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b CITY UNIVERSITY OF NEW YORK   (United States)

^c UNIVERSITY OF CALIFORNIA SAN DIEGO   (United States)

^d CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; ENTHALPY; HYDROPHOBICITY; PROTEINS; SOLVATION;

DIVERSE PROTEINS; HYDROPHOBIC EFFECT; LIGAND-BINDING SITES; LOCAL STRUCTURE; NONPOLAR SOLUTES; PAIR INTERACTIONS; SURFACE CONSTRAINTS; WATER INTERACTIONS;

MOLECULES;

PROTEIN; WATER;

CHEMICAL STRUCTURE; CHEMISTRY; ENZYME ACTIVE SITE; MOLECULAR DYNAMICS; SURFACE PROPERTY; THERMODYNAMICS;

CATALYTIC DOMAIN; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PROTEINS; SURFACE PROPERTIES; THERMODYNAMICS; WATER;

EID: 84985995059     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.6b01094     Document Type: Article

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