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浏览/检索结果: 共8条，第1-8条 帮助 限定条件 发表日期：2020    专题：上海药物研究所    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737 作者:  Li, Xutong;  Li, Zhaojun;  Wu, Xiaolong;  Xiong, Zhaoping;  Yang, Tianbiao 收藏  |  浏览/下载：29/0  |  提交时间：2020/12/21 Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737 作者:  Li, Xutong;  Li, Zhaojun;  Wu, Xiaolong;  Xiong, Zhaoping;  Yang, Tianbiao 收藏  |  浏览/下载：23/0  |  提交时间：2020/12/21 TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments 期刊论文 BIOINFORMATICS, 2020, 卷号: 36, 期号: 16, 页码: 4406-4414 作者:  Chen, Lifan;  Tan, Xiaoqin;  Wang, Dingyan;  Zhong, Feisheng;  Liu, Xiaohong 收藏  |  浏览/下载：19/0  |  提交时间：2021/05/24 D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19 期刊论文 ACTA PHARMACEUTICA SINICA B, 2020, 卷号: 10, 期号: 7, 页码: 1239-1248 作者:  Shi, Yulong;  Zhang, Xinben;  Mu, Kaijie;  Peng, Cheng;  Zhu, Zhengdan 收藏  |  浏览/下载：29/0  |  提交时间：2020/12/24 COVID-19  SARS-CoV-2  Target prediction  Multi-conformation  Multi-site  Docking  D3Targets-2019-nCoV   Heterogeneous immunogenomic features and distinct escape mechanisms in multifocal hepatocellular carcinoma 期刊论文 JOURNAL OF HEPATOLOGY, 2020, 卷号: 72, 期号: 5, 页码: 896-908 作者:  Dong, Liang-qing;  Peng, Li-hua;  Ma, Li-jie;  Liu, Dong-bing;  Zhang, Shu 收藏  |  浏览/下载：65/0  |  提交时间：2020/07/01 Hepatocellular carcinoma  Tumor heterogeneity  Tumor microenvironment  Immunoediting  Neoantigen   Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge 期刊论文 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8 作者:  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian;  Cai, Tingting;  Zhu, Weiliang 收藏  |  浏览/下载：25/0  |  提交时间：2020/07/01 adaptive steered molecular dynamics (ASMD)  binding affinity  HIV-1 protease  semi-empirical quantum mechanics   Cryo-EM Structure of the Human Cannabinoid Receptor CB2-G(i) Signaling Complex 期刊论文 CELL, 2020, 卷号: 180, 期号: 4, 页码: 645-+ 作者:  Xing, Changrui;  Zhuang, Youwen;  Xu, Ting-Hai;  Feng, Zhiwei;  Zhou, X. Edward 收藏  |  浏览/下载：54/0  |  提交时间：2020/07/01 Bioactivity Prediction Based on Matched Molecular Pair and Matched Molecular Series Methods 期刊论文 CURRENT PHARMACEUTICAL DESIGN, 2020, 卷号: 26, 期号: 33, 页码: 4195-4205 作者:  Ding, Xiaoyu;  Cui, Chen;  Wang, Dingyan;  Zhao, Jihui;  Zheng, Mingyue 收藏  |  浏览/下载：15/0  |  提交时间：2020/12/21 Matched molecular pair  matched molecular series  bioactivity prediction  SAR transfer  application domain  lead optimization