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Binding Modes of Three Inhibitors 8CA, F8A and I4A to A-FABP Studied Based on Molecular Dynamics Simulation

Adipocyte fatty-acid binding protein (A-FABP) is an important target of drug designs treating some diseases related to lipid-mediated biology. Molecular dynamics (MD) simulations coupled with solvated interaction energy method (SIE) were carried out to study the binding modes of three inhibitors 8CA...

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Detalles Bibliográficos
Autores principales: Chen, Jianzhong, Wang, Jinan, Zhu, Weiliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4053400/
https://www.ncbi.nlm.nih.gov/pubmed/24918907
http://dx.doi.org/10.1371/journal.pone.0099862