Open AccessSearch for β2 Adrenergic Receptor Ligands by Virtual Screening via Grid Computing and Investigation of Binding Modes by Docking and Molecular Dynamics Simulations
Author(s) -
Qifeng Bai,
Yonghua Shao,
Dabo Pan,
Yang Zhang,
Huanxiang Liu,
Xiaojun Yao
Publication year - 2014
Publication title -
plos one
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.99
H-Index - 332
ISSN - 1932-6203
DOI - 10.1371/journal.pone.0107837
Subject(s) - virtual screening , docking (animal) , agonist , grid , molecular dynamics , computer science , inverse agonist , grid computing , computational science , receptor , chemistry , computational chemistry , mathematics , biochemistry , medicine , nursing , geometry
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