The development of fast free energy calculations methods and their application to drug design

被引:0
|
作者
不详
机构
关键词
D O I
暂无
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
引用
收藏
页码:740 / 740
页数:1
相关论文
共 50 条
  • [1] Fast, accurate pH dependent alchemical free energy calculations towards rational drug design
    Walker, Ross
    Lin, Charles
    Mermelstein, Daniel
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254
  • [2] Fast, Accurate pH Dependent Alchemical Free Energy Calculations Towards Rational Drug Design
    Mermelstein, Daniel J.
    [J]. BIOPHYSICAL JOURNAL, 2018, 114 (03) : 344A - 344A
  • [3] Accuracy assessment of free energy calculations in drug design
    Fox, Thomas
    Christ, Clara
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
  • [4] Free energy calculations in rational drug design.
    McCammon, JA
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 227 : U896 - U896
  • [5] Accuracy Assessment and Automation of Free Energy Calculations for Drug Design
    Christ, Clara D.
    Fox, Thomas
    [J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 54 (01) : 108 - 120
  • [6] Molecular recognition and binding free energy calculations in drug development
    Dominy, B. N.
    [J]. CURRENT PHARMACEUTICAL BIOTECHNOLOGY, 2008, 9 (02) : 87 - 95
  • [7] Rigorous Free Energy Calculations in Structure-Based Drug Design
    Michel, Julien
    Foloppe, Nicolas
    Essex, Jonathan W.
    [J]. MOLECULAR INFORMATICS, 2010, 29 (8-9) : 570 - 578
  • [8] Free energy calculations in structure-based drug design.
    McCammon, JA
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U761 - U761
  • [9] Free energy calculations in drug discovery
    Abel, Robert
    Lin, Teng
    Kim, Byungchan
    Wang, Lingle
    Mondal, Sayan
    Deng, Yuqing
    Knight, Jennifer
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [10] Application of the free energy calculations to study drug-enzyme and drug-DNA complexes
    Cieplak, P
    [J]. MOLECULAR SIMULATION, 2002, 28 (1-2) : 173 - 186