FAMBE-pH: A fast and accurate method to compute the total solvation free energies of proteins

Journal of Physical Chemistry B

Volumn 112, Issue 35, 2008, Pages 11122-11136

  Vorobjev, Yury N ^a   Vila, Jorge A ^b,c   Scheraga, Harold A ^b  

^a INSTITUTE OF CHEMICAL BIOLOGY AND FUNDAMENTAL MEDICINE   (Russian Federation)

^b Baker Laboratory of Chemistry and Chemical Biology Cornell University ^*  (United States)

^c UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; DIELECTRIC DEVICES; ENZYMES; EQUATIONS OF STATE; FREE ENERGY; INVERSE PROBLEMS; POISSON EQUATION; PROTEINS; SOLVATION;

ATOMIC CHARGES; ATOMIC RADIUS; BOUNDARY ELEMENTS; BOVINE PANCREATIC RIBONUCLEASE; BOVINE PANCREATIC TRYPSIN; CHARGED STATES; DETAILED MODELS; DIELECTRIC SURFACES; HEN EGG-WHITE LYSOZYME; IONIZABLE GROUPS; MULTI-GRID; PARTITION FUNCTIONS; SALT EFFECTS; SOLVATION FREE ENERGIES;

BOUNDARY ELEMENT METHOD;

EID: 52349088763     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp709969n     Document Type: Article

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