Solvation thermodynamic mapping of molecular surfaces in ambertools: GIST

Journal of Computational Chemistry

Volumn 37, Issue 21, 2016, Pages 2029-2037

  Ramsey, Steven ^a,b   Nguyen, Crystal ^c   Salomon Ferrer, Romelia ^d   Walker, Ross C ^d,e   Gilson, Michael K ^c   Kurtzman, Tom ^a,b  

^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 UNIVERSITY OF CALIFORNIA   (United States)

^e UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; MOLECULAR DYNAMICS; THERMODYNAMICS;

COMMAND LINE INTERFACE; FREE ENERGY CHANGE; INHOMOGENEOUS FLUID SOLVATION THEORIES; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SURFACES; OPEN SOURCE TOOLS; SOLVATION THERMODYNAMICS; THREE-DIMENSIONAL GRIDS;

SOLVATION;

PROTEIN; WATER;

ALGORITHM; CHEMISTRY; MOLECULAR DYNAMICS; SOLUBILITY; SURFACE PROPERTY; THERMODYNAMICS;

ALGORITHMS; MOLECULAR DYNAMICS SIMULATION; PROTEINS; SOLUBILITY; SURFACE PROPERTIES; THERMODYNAMICS; WATER;

EID: 84997659194     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.24417     Document Type: Article

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