Quantum calculation of protein solvation and proteinligand binding free energy for HIV-1 protease/water complex

Journal of Theoretical and Computational Chemistry

Volumn 8, Issue 6, 2009, Pages 1265-1279

  Tong, Yan ^a   Mei, Ye ^b   Zhang, John Z H ^b,c   Duan, Li L ^d   Zhang, Qing Gang ^d  

^a NANJING UNIVERSITY   (China)

^b EAST CHINA NORMAL UNIVERSITY   (China)

^c NEW YORK UNIVERSITY   (United States)

^d SHANDONG NORMAL UNIVERSITY   (China)

Author keywords

CPCM; Free energy; HIV 1 protease; MFCC; Quantum mechanics (QM)

Indexed keywords

EID: 77149136749     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633609005313     Document Type: Article

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