Homology modelling, virtual screening and molecular dynamics of the MARK3 KA1 domain for cancer drug design

Molecular Simulation

Volumn 37, Issue 14, 2011, Pages 1186-1206

  Semighini, Evandro P ^a   Taft, Carlton A ^b   Silva, Carlos H T P ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

Author keywords

Cancer; Drug design; Virtual screening

Indexed keywords

CANCER; CANCER DRUG; CATALYTIC DOMAINS; DOCKING SIMULATIONS; DRUG DESIGN; HEAD-AND-NECK CANCER; HOMOLOGY MODELLING; IN-VITRO; INTRAMOLECULAR INTERACTIONS; KINASE DOMAINS; MOLECULAR INTERACTION FIELDS; POTENTIAL INHIBITORS; QUALITY MODELS; STRUCTURAL HOMOLOGY; VIRTUAL SCREENING;

DISEASES; DRUG INTERACTIONS; DYNAMICS; LIGANDS; MOLECULAR DYNAMICS; VIRTUAL REALITY;

THREE DIMENSIONAL;

EID: 81255169324     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2011.589052     Document Type: Article

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