Knowledge-based prediction of protein-ligand binding affinities

被引:0
|
作者
Kadukova, M. [1 ,2 ,3 ,4 ]
Chupin, V [1 ]
Grudinin, S. [2 ,3 ,4 ]
机构
[1] Moscow Inst Phys & Technol, Res Ctr Mol Mech Aging & Age Related Dis, Dolgoprudnyi, Russia
[2] Univ Grenoble Alpes, LJK, F-38000 Grenoble, France
[3] INRIA, Villers Les Nancy, France
[4] CNRS, LJK, F-38000 Grenoble, France
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:546 / 547
页数:2
相关论文
共 50 条
  • [31] A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions
    Yingtao Liu
    Zhijian Xu
    Zhuo Yang
    Kaixian Chen
    Weiliang Zhu
    Journal of Molecular Modeling, 2013, 19 : 5015 - 5030
  • [32] A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions
    Liu, Yingtao
    Xu, Zhijian
    Yang, Zhuo
    Chen, Kaixian
    Zhu, Weiliang
    JOURNAL OF MOLECULAR MODELING, 2013, 19 (11) : 5015 - 5030
  • [33] Consider Solvation and Entropy in the Knowledge-Based Scoring Function for Protein-Ligand Interactions
    Huang, Shengyou
    Zou, Xiaoqin
    BIOPHYSICAL JOURNAL, 2011, 100 (03) : 393 - 393
  • [34] Protein-ligand interaction scoring using TAE knowledge-based potentials.
    Deng, W
    Breneman, CM
    Tropsha, A
    Feng, J
    Ryan, MD
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U490 - U490
  • [35] A knowledge-based energy function for protein-ligand, protein-protein, and protein-DNA complexes
    Zhang, C
    Liu, S
    Zhu, QQ
    Zhou, YQ
    JOURNAL OF MEDICINAL CHEMISTRY, 2005, 48 (07) : 2325 - 2335
  • [36] Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis
    Wang, Changhao
    Nguyen, Peter H.
    Pham, Kevin
    Huynh, Danielle
    Le, Thanh-Binh Nancy
    Wang, Hongli
    Ren, Pengyu
    Luo, Ray
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2016, 37 (27) : 2436 - 2446
  • [37] 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
  • [38] Calculating protein-ligand binding affinities with MM/PBSA: Improvement and extension
    Qi, Ruxi
    Wang, Changhao
    Xiao, Li
    Botello-Smith, Wesley
    Greene, D'Artagnan
    Luo, Ray
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254
  • [39] Estimating protein-ligand binding affinities using a fluctuating charge model
    Stern, Harry A.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
  • [40] Surface-based multimodal protein-ligand binding affinity prediction
    Xu, Shiyu
    Shen, Lian
    Zhang, Menglong
    Jiang, Changzhi
    Zhang, Xinyi
    Xu, Yanni
    Liu, Juan
    Liu, Xiangrong
    BIOINFORMATICS, 2024, 40 (07)