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Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods 期刊论文
FRONTIERS IN PHARMACOLOGY, 2019, 卷号: 10, 页码: 11
作者:  Wang, Dingyan;  Cui, Chen;  Ding, Xiaoyu;  Xiong, Zhaoping;  Zheng, Mingyue
收藏  |  浏览/下载:57/0  |  提交时间:2020/07/01
Ensemble docking-based virtual screening toward identifying inhibitors against Wee1 kinase 期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 15, 页码: 1889-1906
作者:  Li, Yaping;  Wu, Dong-mei;  Kong, Ling-mei;  Zhang, Shuqun;  Du, Haibo
收藏  |  浏览/下载:9/0  |  提交时间:2020/03/26
The Impact of Protein Structure and Sequence Similarity on the Accuracy of Machine-Learning Scoring Functions for Binding Affinity Prediction 期刊论文
BIOMOLECULES, 2018, 卷号: 8
作者:  Li, Hongjian;  Peng, Jiangjun;  Leung, Yee;  Leung, Kwong-Sak;  Wong, Man-Hon
收藏  |  浏览/下载:10/0  |  提交时间:2019/11/26
Reoptimized UNRES Potential for Protein Model Quality Assessment 期刊论文
GENES, 2018, 卷号: 9, 期号: 12, 页码: 601
作者:  Faraggi, E;  Krupa, P;  Mozolewska, MA;  Liwo, A;  Kloczkowski, A
收藏  |  浏览/下载:1/0  |  提交时间:2019/07/19
Molecular docking for drug discovery and development: a widely used approach but far from perfect 期刊论文
FUTURE MEDICINAL CHEMISTRY, 2016, 卷号: 8, 期号: 14
作者:  Wang, Guimin;  Zhu, Weiliang
收藏  |  浏览/下载:18/0  |  提交时间:2019/01/08
A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions 期刊论文
JOURNAL OF MOLECULAR MODELING, 2015, 卷号: 21, 期号: 6
作者:  Yang, Zhuo;  Liu, Yingtao;  Chen, Zhaoqiang;  Xu, Zhijian;  Shi, Jiye
收藏  |  浏览/下载:12/0  |  提交时间:2019/01/08
Force fields and scoring functions for carbohydrate simulation 期刊论文
CARBOHYDRATE RESEARCH, 2015, 卷号: 401, 页码: 73-81
作者:  Xiong, Xiuming;  Chen, Zhaoqiang;  Cossins, Benjamin P.;  Xu, Zhijian;  Shao, Qiang
收藏  |  浏览/下载:23/0  |  提交时间:2019/01/08
A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions 期刊论文
JOURNAL OF MOLECULAR MODELING, 2015, 卷号: 21, 期号: 6, 页码: 138-138
作者:  Yang, Z;  Liu, YT;  Chen, ZQ;  Xu, ZJ;  Shi, JY
收藏  |  浏览/下载:17/0  |  提交时间:2015/07/22
MoDock: A multi-objective strategy improves the accuracy for molecular docking 期刊论文
ALGORITHMS FOR MOLECULAR BIOLOGY, 2015, 卷号: 10, 页码: 8
作者:  Gu, Junfeng;  Yang, Xu;  Kang, Ling;  Wu, Jinying;  Wang, Xicheng
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/09
A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 11, 页码: 5015-5030
作者:  Liu, Yingtao;  Xu, Zhijian;  Yang, Zhuo;  Chen, Kaixian;  Zhu, Weiliang
收藏  |  浏览/下载:14/0  |  提交时间:2019/01/08


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