Adaptive scoring for comparing ligand binding sites and predicting binding modes and affinities

被引：0
|
作者：
Kuhn, Leslie A. [1 ,2 ]
Tonero, Matthew E. [1 ]
Van Voorst, Jeffrey R. [1 ,2 ]
Zavodszky, Maria I. [1 ]
机构：
[1] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA
[2] Michigan State Univ, Dept Comp Sci & Engn, E Lansing, MI 48824 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2009年 / 237卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
70-CINF
引用
收藏
页数：1
相关论文
共 50 条
  • [21] Ligand binding with continuous modification of binding sites
    Arakelyan, VB
    Haroutiunian, SG
    Abgaryan, HH
    Arakelyan, AV
    Haroutunyan, TS
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2004, 22 (02): : 245 - 251
  • [22] Method for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions
    Minai, Ryoichi
    Matsuo, Yo
    Onuki, Hiroyuki
    Hirota, Hiroshi
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2008, 72 (01) : 367 - 381
  • [23] The binding modes and binding affinities of epipodophyllotoxin derivatives with human topoisomerase IIα
    Naik, Pradeep Kumar
    Dubey, Abhishek
    Soni, Komal
    Kumar, Rishay
    Singh, Harvinder
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2010, 29 (04): : 546 - 564
  • [24] Computational protocol for predicting the binding affinities of zinc containing metalloprotein-ligand complexes
    Jain, Tarun
    Jayaram, B.
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2007, 67 (04) : 1167 - 1178
  • [25] Blind Prediction of Charged Ligand Binding Affinities in a Model Binding Site
    Rocklin, Gabriel J.
    Boyce, Sarah E.
    Fischer, Marcus
    Fish, Inbar
    Mobley, David L.
    Shoichet, Brian K.
    Dill, Ken A.
    JOURNAL OF MOLECULAR BIOLOGY, 2013, 425 (22) : 4569 - 4583
  • [26] Calculation of protein-ligand binding affinities
    Gilson, Michael K.
    Zhou, Huan-Xiang
    ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE, 2007, 36 : 21 - 42
  • [27] Ligand binding affinities from MD simulations
    Åqvist, J
    Luzhkov, VB
    Brandsdal, BO
    ACCOUNTS OF CHEMICAL RESEARCH, 2002, 35 (06) : 358 - 365
  • [28] Predicting Protein Ligand Binding Sites with Structure Alignment Method on Hadoop
    Liu, Guangzhong
    Liu, Min
    Chen, Daozheng
    Chen, Lei
    Zhu, Jiali
    Zhou, Bo
    Gao, Jun
    CURRENT PROTEOMICS, 2016, 13 (02) : 113 - 121
  • [29] Predicting small ligand binding sites in proteins using backbone structure
    Bordner, Andrew J.
    BIOINFORMATICS, 2008, 24 (24) : 2865 - 2871
  • [30] A new concept for multidimensional selection of ligand conformations (MultiSelect) and multidimensional scoring (MultiScore) of protein-ligand binding affinities
    Terp, GE
    Johansen, BN
    Christensen, IT
    Jorgensen, FS
    JOURNAL OF MEDICINAL CHEMISTRY, 2001, 44 (14) : 2333 - 2343
12345