Search for β(2) Adrenergic Receptor Ligands by Virtual Screening via Grid Computing and Investigation of Binding Modes by Docking and Molecular Dynamics Simulations

We designed a program called MolGridCal that can be used to screen small molecule database in grid computing on basis of JPPF grid environment. Based on MolGridCal program, we proposed an integrated strategy for virtual screening and binding mode investigation by combining molecular docking, molecul...

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Detalhes bibliográficos
Main Authors: Bai, Qifeng, Shao, Yonghua, Pan, Dabo, Zhang, Yang, Liu, Huanxiang, Yao, Xiaojun
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2014
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4168136/
https://ncbi.nlm.nih.gov/pubmed/25229694
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0107837
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