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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Autori principali: Bai, Qifeng, Shao, Yonghua, Pan, Dabo, Zhang, Yang, Liu, Huanxiang, Yao, Xiaojun
Natura: Artigo
Lingua:Inglês
Pubblicazione: Public Library of Science 2014
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Research Article
Accesso online: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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