SCOPUS 정보 검색 플랫폼

Volumn 10, Issue 31, 2012, Pages 6341-6349

Cross-docking study on InhA inhibitors: A combination of Autodock Vina and PM6-DH2 simulations to retrieve bio-active conformations

(4) Stigliani, Jean Luc a,b Bernardes Génisson, Vania a,b Bernadou, Jean a,b Pratviel, Geneviève a,b

a LCC LABORATOIRE DE CHIMIE DE COORDINATION (France)

b UNIVERSITÉ PAUL SABATIER (France)

Author keywords

[No Author keywords available]

Indexed keywords

OPTIMIZATION; QUANTUM CHEMISTRY;

AUTODOCK; BIO-ACTIVE; BIOACTIVE CONFORMATION; CARRIER PROTEINS; CATALASE-PEROXIDASE; CLINICAL RESISTANCE; CROSSDOCKING; CRYSTALLOGRAPHIC STRUCTURE; FORCE FIELDS; INTERACTION ENERGIES; MULTIPLE RECEPTORS; MYCOBACTERIUM TUBERCULOSIS; POTENT INHIBITOR; RESISTANCE MECHANISMS; SCORING FUNCTIONS; SEMI-EMPIRICAL; SINGLE-POINT CALCULATIONS; X RAY CRYSTAL STRUCTURES;

CONFORMATIONS;

MYCOBACTERIUM TUBERCULOSIS;

EID: 84863915863 PISSN: 14770520 EISSN: None Source Type: Journal
DOI: 10.1039/c2ob25602a Document Type: Article

Times cited : (62)

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