Predicting Ligand Binding Sites on Protein Surfaces by 3-Dimensional Probability Density Distributions of Interacting Atoms

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Jian, Jhih-Wei ; Elumalai, Pavadai ; Pitti, Thejkiran ; Wu, Chih Yuan ; Tsai, Keng-Chang ; Chang, Jeng-Yih ; Peng, Hung-Pin ; Yang, An-Suei
  • Publisher: Figshare
  • Related identifiers: doi: 10.1371/journal.pone.0160315
  • Subject: Biophysics | Biochemistry | Molecular Biology | Pharmacology | Biotechnology | probability density maps | Ligand Binding Sites | ligand binding sites | query protein surfaces | protein structure models | LBS predictors benchmarked | model protein structures | protein structures
    • FOR: 110309 Infectious Diseases | 59999 Environmental Sciences not elsewhere classified | 69999 Biological Sciences not elsewhere classified | 39999 Chemical Sciences not elsewhere classified | 80699 Information Systems not elsewhere classified

<div><p>Predicting ligand binding sites (LBSs) on protein structures, which are obtained either from experimental or computational methods, is a useful first step in functional annotation or structure-based drug design for the protein structures. In this work, the struc... View more
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