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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Bibliografiske detaljer
Main Authors: Bai, Qifeng, Shao, Yonghua, Pan, Dabo, Zhang, Yang, Liu, Huanxiang, Yao, Xiaojun
Format: Artigo
Sprog:Inglês
Udgivet: Public Library of Science 2014
Fag:
Research Article
Online adgang: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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