Communications: Electron polarization critically stabilizes the Mg 2+ complex in the catalytic core domain of HIV-1 integrase

Journal of Chemical Physics

Volumn 132, Issue 13, 2010, Pages

  Lu, Yunpeng ^a   Mei, Ye ^b   Zhang, John Z H ^b,c   Zhang, Dawei ^a  

^a Nanyang Technological University   (Singapore)

^b EAST CHINA NORMAL UNIVERSITY   (China)

^c NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC CORE; COORDINATION COMPLEX; ELECTRON POLARIZATION; ELECTRONIC POLARIZATION; EQUILIBRIUM POSITIONS; FORCE FIELDS; HIV-1 INTEGRASE; MD SIMULATION; NUMERICAL RESULTS;

METAL COMPLEXES; POLARIZATION;

COORDINATION REACTIONS;

INTEGRASE; MAGNESIUM; P31 INTEGRASE PROTEIN, HUMAN IMMUNODEFICIENCY VIRUS 1;

ARTICLE; CHEMISTRY; ELECTRON; ENZYME ACTIVE SITE; ENZYME STABILITY; METABOLISM; MOLECULAR DYNAMICS;

CATALYTIC DOMAIN; ELECTRONS; ENZYME STABILITY; HIV INTEGRASE; MAGNESIUM; MOLECULAR DYNAMICS SIMULATION;

EID: 77954575310     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3360769     Document Type: Article

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