Free energy barriers for escape of water molecules from protein hydration layer

Journal of Physical Chemistry B

Volumn 116, Issue 9, 2012, Pages 2958-2968

  Roy, Susmita ^a   Bagchi, Biman ^a  

^a INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BIOLOGICAL SYSTEMS; ENERGY BARRIERS; FREE ENERGY; HYDRATION; MOLECULAR DYNAMICS; PROTEINS;

BARRIER HEIGHTS; BIOLOGICAL FUNCTIONS; BULK WATER; EINSTEIN RELATIONS; FREE ENERGY SURFACE; FREE-ENERGY CALCULATIONS; HYDRATION LAYERS; INTERFACIAL WATER; INTERFACIAL WATER MOLECULES; KRAMERS' THEORY; LONG RESIDENCE TIME; MOLECULAR DYNAMICS SIMULATIONS; PROTEIN CONFORMATION; PROTEIN HYDRATION; REACTION COORDINATES; RESIDENCE TIME; SECONDARY STRUCTURES; UMBRELLA SAMPLING; WATER MOLECULE;

MOLECULES;

EID: 84858040899     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp209437j     Document Type: Article

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