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Bioorganic and Medicinal Chemistry

Volumn 14, Issue 8, 2006, Pages 2636-2641

Binding free energy calculations of adenosine deaminase inhibitors

(4) Coi, Alessio a Tonelli, Marco b Ganadu, Maria Luisa c Bianucci, Anna Maria a

a UNIVERSITY OF PISA (Italy)

b UNIVERSITY OF WISCONSIN MADISON (United States)

c UNIVERSITY OF SASSARI (Italy)

Author keywords

Adenosine deaminase inhibitors; Binding free energies; Molecular dynamics simulations; Surface accessible solvent area

Indexed keywords

ADENOSINE DEAMINASE INHIBITOR; ENZYME INHIBITOR;

ARTICLE; CALCULATION; CHEMICAL BOND; COMPUTER SIMULATION; DRUG BINDING SITE; DRUG RECEPTOR BINDING; ELECTRIC ACTIVITY; ENERGY TRANSFER; ENZYME INHIBITION; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR RECOGNITION; RECEPTOR AFFINITY;

ADENOSINE DEAMINASE; ELECTROSTATICS; ENZYME INHIBITORS; MODELS, MOLECULAR;

EID: 33644772106 PISSN: 09680896 EISSN: None Source Type: Journal
DOI: 10.1016/j.bmc.2005.11.047 Document Type: Article

Times cited : (7)

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