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International Journal of Quantum Chemistry

Volumn 85, Issue 6, 2001, Pages 713-726

Evaluating the relative free energy of hydration of new thrombin inhibitor candidates using the finite difference thermodynamic integration (FDTI) method

(2) Guimares, Cristiano Ruch Werneck a De Alencastro, Ricardo Bicca a

a FEDERAL UNIVERSITY OF RIO DE JANEIRO (Brazil)

Author keywords

FDTI method; Free energy of hydration; Thrombin inhibitors

Indexed keywords

ALGORITHMS; ENZYMES; FINITE DIFFERENCE METHOD; HYDRATION; MOLECULAR DYNAMICS;

BENZAMIDINE; FINITE DIFFERENCE THERMODYNAMIC INTEGRATION METHOD; SERINE PROTEASE; THROMBIN INHIBITOR;

FREE ENERGY;

EID: 0035924086 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.1701 Document Type: Conference Paper

Times cited : (11)

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