Computation of the contribution from the cavity effect to protein-ligand binding free energy

Journal of Physical Chemistry B

Volumn 112, Issue 48, 2008, Pages 15355-15360

  Grigoriev, F V ^a   Gabin, S N ^a   Romanov, A N ^a   Sulimov, V B ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMISTRY; FREE ENERGY; LIGANDS; LIGHT EMISSION; LUMINESCENCE; THERMODYNAMIC PROPERTIES; THERMODYNAMICS;

ACTIVE SITES; BOUND STATES; CAVITY EFFECTS; INTEGRATION PROCEDURES; INTERACTION POTENTIALS; LIGAND BINDINGS; ORIGINAL ALGORITHMS; PARALLEL VERSIONS; RIGID STRUCTURES; THERMODYNAMIC CYCLES; TWO STAGES; UNBOUND STATES; WATER MOLECULES;

BINDING ENERGY;

EID: 57949106437     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8041439     Document Type: Article

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