Investigation of the effects of water in the binding site on protein-ligand interaction energy

被引:0
|
作者
Sato, Hiroyuki [1 ]
Matsuura, Azuma [1 ]
机构
[1] Fujitsu Labs Ltd, Atsugi, Kanagawa, Japan
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
202
引用
收藏
页数:1
相关论文
共 50 条
  • [1] An assessment of protein-ligand binding site polarizability
    Nayeem, A
    Krystek, S
    Stouch, T
    [J]. BIOPOLYMERS, 2003, 70 (02) : 201 - 211
  • [2] The effects of active site solvation and protein conformational flexibility on protein-ligand binding
    Friesner, Richard A.
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238
  • [3] Methyl Effects on Protein-Ligand Binding
    Leung, Cheryl S.
    Leung, Siegfried S. F.
    Tirado-Rives, Julian
    Jorgensen, William L.
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 2012, 55 (09) : 4489 - 4500
  • [4] Full quantum mechanical ab initio computation of protein-ligand interaction energy and QM map for protein-ligand binding.
    Gao, A
    Zhang, JZH
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 228 : U523 - U523
  • [5] Statistical Estimation of the Protein-Ligand Binding Free Energy Based On Direct Protein-Ligand Interaction Obtained by Molecular Dynamics Simulation
    Fukunishi, Yoshifumi
    Nakamura, Haruki
    [J]. PHARMACEUTICALS, 2012, 5 (10): : 1064 - 1079
  • [6] SHREC 2022: Protein-ligand binding site recognition
    Gagliardi, Luca
    Raffo, Andrea
    Fugacci, Ulderico
    Biasotti, Silvia
    Rocchia, Walter
    Huang, Hao
    Ben Amor, Boulbaba
    Fang, Yi
    Zhang, Yuanyuan
    Wang, Xiao
    Christoffer, Charles
    Kihara, Daisuke
    Axenopoulos, Apostolos
    Mylonas, Stelios
    Daras, Petros
    [J]. COMPUTERS & GRAPHICS-UK, 2022, 107 : 20 - 31
  • [7] A comprehensive survey on protein-ligand binding site prediction
    Xia, Ying
    Pan, Xiaoyong
    Shen, Hong -Bin
    [J]. CURRENT OPINION IN STRUCTURAL BIOLOGY, 2024, 86
  • [8] Cloud Computing for Protein-Ligand Binding Site Comparison
    Hung, Che-Lun
    Hua, Guan-Jie
    [J]. BIOMED RESEARCH INTERNATIONAL, 2013, 2013
  • [9] Polypharmacology rescored: Protein-ligand interaction profiles for remote binding site similarity assessment
    Salentin, Sebastian
    Haupt, V. Joachim
    Daminelli, Simone
    Schroeder, Michael
    [J]. PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY, 2014, 116 (2-3): : 174 - 186
  • [10] Importance of bridging water molecules to protein-ligand binding free-energy
    Wang, SM
    Lu, YP
    Yang, CY
    Wang, RX
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 230 : U1271 - U1272