Insights into affinity and specificity in the complexes of α-lytic protease and its inhibitor proteins: Binding free energy from molecular dynamics simulation

Physical Chemistry Chemical Physics

Volumn 11, Issue 25, 2009, Pages 4968-4981

  Deng, Nan Jie ^a   Cieplak, Piotr ^b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b BURNHAM INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PROTEINASE INHIBITOR;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ENZYME SPECIFICITY; QUANTUM THEORY; THERMODYNAMICS;

BINDING SITES; COMPUTER SIMULATION; MODELS, MOLECULAR; PROTEASE INHIBITORS; QUANTUM THEORY; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 67650351897     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b820961h     Document Type: Article

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