Relative binding affinities of fructose-1,6-bisphosphatase inhibitors calculated using a quantum mechanics-based free energy perturbation method

Journal of the American Chemical Society

Volumn 129, Issue 30, 2007, Pages 9296-9297

  Reddy, M Rami ^a   Erion, Mark D ^a  

^a Metabasis Therapeutics Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FRUCTOSE 1,6 BISPHOSPHATASE INHBITOR; FRUCTOSE BISPHOSPHATASE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BINDING SITE; CALCULATION; DRUG STRUCTURE; ENERGY; ENZYME ACTIVITY; ENZYME BINDING; ENZYME INHIBITION; FORCE; FREE ENERGY PERTURBATION METHOD; HYDROGEN BOND; MOLECULAR MECHANICS; NON INSULIN DEPENDENT DIABETES MELLITUS; QUANTUM MECHANICS; SOLVATION; STRUCTURE ANALYSIS; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; BINDING SITES; ENZYME INHIBITORS; FRUCTOSE-BISPHOSPHATASE; MOLECULAR STRUCTURE; QUANTUM THEORY; THERMODYNAMICS;

EID: 34547688945     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja072905j     Document Type: Article

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