Unbinding pathways of VEGFR2 inhibitors revealed by steered molecular dynamics

Journal of Chemical Information and Modeling

Volumn 54, Issue 11, 2014, Pages 3124-3136

  Capelli, Anna Maria ^a,b   Costantino, Gabriele ^b  

^a CHIESI FARMACEUTICI S P A   (Italy)

^b UNIVERSITY OF PARMA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

ATP-BINDING SITE; GAIN INSIGHT; RENAL CELL CARCINOMA; RESIDENCE TIME; SORAFENIB; STEERED MOLECULAR DYNAMICS; STRUCTURAL ANALOGUE; VELOCITY PARAMETERS;

MOLECULAR DYNAMICS;

INDOLE DERIVATIVE; PROTEIN KINASE INHIBITOR; PYRROLE DERIVATIVE; SUNITINIB; VASCULOTROPIN RECEPTOR 2;

ANTAGONISTS AND INHIBITORS; CHEMISTRY; ENZYME ACTIVE SITE; HUMAN; METABOLISM; MOLECULAR DYNAMICS;

CATALYTIC DOMAIN; HUMANS; INDOLES; MOLECULAR DYNAMICS SIMULATION; PROTEIN KINASE INHIBITORS; PYRROLES; VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR-2;

EID: 84912103852     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500527j     Document Type: Article

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