Deep learning based scoring function for predicting protein-ligand binding affinities

被引：0
|
作者：
Hassan, Md Mahmudulla [2 ]
Castaneda, Daniel [2 ]
Sirimulla, Suman [1 ]
机构：
[1] St Louis Coll Pharm, Basic Sci, St Louis, MO USA
[2] Univ Texas El Paso, Comp Sci & Pharm, El Paso, TX 79968 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2018年 / 256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：
126
引用
收藏
页数：1
相关论文
共 50 条
  • [21] Mayer-Homology Learning Prediction of Protein-Ligand Binding Affinities
    Feng, Hongsong
    Shen, Li
    Liu, Jian
    Wei, Guo-Wei
    JOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY, 2025, 24 (02): : 253 - 266
  • [22] Influence of Dimehylsulfoxide on Protein-Ligand Binding Affinities
    Cubrilovic, Dragana
    Zenobi, Renato
    ANALYTICAL CHEMISTRY, 2013, 85 (05) : 2724 - 2730
  • [23] 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
  • [24] Predicting protein-ligand binding affinities using novel geometrical descriptors and machine-learning methods
    Deng, W
    Breneman, C
    Embrechts, MJ
    JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2004, 44 (02): : 699 - 703
  • [25] Quantitative predictions of protein-ligand binding affinities
    Mobley, David L.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 237
  • [26] 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
  • [27] Prediction of protein-ligand binding affinities using multiple instance learning
    Teramoto, Reiji
    Kashima, Hisashi
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2010, 29 (03): : 492 - 497
  • [28] Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review
    Meli, Rocco
    Morris, Garrett M.
    Biggin, Philip C.
    FRONTIERS IN BIOINFORMATICS, 2022, 2
  • [29] Prediction of protein-ligand binding affinity with deep learning
    Wang, Yuxiao
    Jiao, Qihong
    Wang, Jingxuan
    Cai, Xiaojun
    Zhao, Wei
    Cui, Xuefeng
    COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2023, 21 : 5796 - 5806
  • [30] Visualizing structure-based deep learning scoring functions for protein-ligand interactions
    Koes, David
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258
12345