Optimizing Ligand Charges for Maximum Binding Affinity. A Solvated Interaction Energy Approach

Journal of Physical Chemistry B

Volumn 105, Issue 4, 2001, Pages 889-899

  Sulea, Traian ^a   Purisima, Enrico O ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY ELEMENT METHOD; CROWN ETHERS; ELECTRIC CHARGE; ELECTROSTATICS; ENZYMES; FREE ENERGY; POLYNOMIALS; POSITIVE IONS;

LIGANDS; MAXIMUM BINDING AFFINITY; POISSON EQUATION;

BINDING ENERGY;

EID: 0034825821     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0038714     Document Type: Article

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