Atomistic modeling of protein-ligand binding: Successes, limitations, and opportunities

被引：0
|
作者：
Abel, Robert [1 ]
Wang, Lingle [1 ]
Harder, Edward [1 ]
Bhat, Sathesh [1 ]
Konze, Kyle [1 ]
Leswing, Karl [1 ]
Bos, Pieter [1 ]
Dahlgren, Markus [1 ]
Yu, Haoyu [2 ]
Ross, Gregory [1 ]
机构：
[1] Schrodinger Inc, New York, NY USA
[2] Schrodinger Inc, Ft Lee, NJ USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2019年 / 257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：
103
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Modeling protein-ligand binding and protein structure
    Abel, Robert
    Salam, Noeris
    Kim, Byungchan
    Krilov, Goran
    Li, Jianing
    Zhu, Kai
    Cao, Yixiang
    Deng, Yuqing
    Wu, Yujie
    Lin, Teng
    Day, Tyler
    Repasky, Matt
    Borrelli, Ken
    Zhao, Suwen
    Shelley, John
    Sherman, Woody
    Farid, Ramy
    Friesner, Richard
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 242
  • [2] Protein-Ligand Binding by Free Energy Simulations: Issues, Successes and Failures
    Essex, Jonathan W.
    BIOPHYSICAL JOURNAL, 2012, 102 (03) : 1A - 1A
  • [3] Modeling Protein-Ligand Binding by Mining Minima
    Chen, Wei
    Gilson, Michael K.
    Webb, Simon P.
    Potter, Michael J.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2010, 6 (11) : 3540 - 3557
  • [4] Modeling regionalized volumetric differences in protein-ligand binding cavities
    Brian Y Chen
    Soutir Bandyopadhyay
    Proteome Science, 10
  • [5] Modeling regionalized volumetric differences in protein-ligand binding cavities
    Chen, Brian Y.
    Bandyopadhyay, Soutir
    PROTEOME SCIENCE, 2012, 10
  • [6] Achieving a high level of accuracy in modeling protein-ligand binding
    Harder, Edward
    Wu, Chuanjie
    Damm, Wolfgang
    Roos, Anna
    Reboul, Mark
    Stevenson, James
    Abel, Robert
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 256
  • [7] Modeling protein-ligand complexes
    Bamborough, P
    Cohen, FE
    CURRENT OPINION IN STRUCTURAL BIOLOGY, 1996, 6 (02) : 236 - 241
  • [8] RECENT THEORETICAL AND COMPUTATIONAL ADVANCES FOR MODELING PROTEIN-LIGAND BINDING AFFINITIES
    Gallicchio, Emilio
    Levy, Ronald M.
    ADVANCES IN PROTEIN CHEMISTRY AND STRUCTURAL BIOLOGY, VOL 85: COMPUTATIONAL CHEMISTRY METHODS IN STRUCTURAL BIOLOGY, 2011, 85 : 27 - 80
  • [9] COMP 113-Modeling the role of the solvent in protein-ligand binding
    Abel, Robert
    Kim, Byungchan
    Shirts, Michael R.
    Friesner, Richard A.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 236
  • [10] Calculation of protein-ligand binding affinities
    Gilson, Michael K.
    Zhou, Huan-Xiang
    ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE, 2007, 36 : 21 - 42
12345