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浏览/检索结果: 共8条，第1-8条 帮助 限定条件 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 Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge 期刊论文 PLOS COMPUTATIONAL BIOLOGY, 2021, 卷号: 17, 期号: 9, 页码: 19 作者:  Xiong, Zhaoping;  Jeon, Minji;  Allaway, Robert J.;  Kang, Jaewoo;  Park, Donghyeon 收藏  |  浏览/下载：22/0  |  提交时间：2021/11/04 Automated design and optimization of multitarget schizophrenia drug candidates by deep learning 期刊论文 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 204, 页码: 16 作者:  Tan, Xiaoqin;  Jiang, Xiangrui;  He, Yang;  Zhong, Feisheng;  Li, Xutong 收藏  |  浏览/下载：37/0  |  提交时间：2020/12/21 Schizophrenia  Multitarget antipsychotic drugs  Recurrent neural network  Multitask deep neural network  Automated drug design   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：28/0  |  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 KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules 期刊论文 BIOINFORMATICS, 2019, 卷号: 35, 期号: 24, 页码: 5354-5356 作者:  Li, Zhaojun;  Li, Xutong;  Liu, Xiaohong;  Fu, Zunyun;  Xiong, Zhaoping 收藏  |  浏览/下载：79/0  |  提交时间：2020/07/01 Discovery of Novel Janus Kinase (JAK) and Histone Deacetylase (HDAC) Dual Inhibitors for the Treatment of Hematological Malignancies 期刊论文 JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 62, 期号: 8, 页码: 3898-3923 作者:  Liang, Xuewu;  Zang, Jie;  Li, Xiaoyang;  Tang, Shuai;  Huang, Min 收藏  |  浏览/下载：18/0  |  提交时间：2020/07/01 Computational chemical biology and drug design: Facilitating protein structure, function, and modulation studies 期刊论文 MEDICINAL RESEARCH REVIEWS, 2018, 卷号: 38, 期号: 3, 页码: 914-950 作者:  Zheng, Mingyue;  Zhao, Jihui;  Cui, Chen;  Fu, Zunyun;  Li, Xutong 收藏  |  浏览/下载：42/0  |  提交时间：2019/01/08 ADMET  chemical biology  drug design  in silico  lead optimization  molecular dynamics  polypharmacology  virtual screening   In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion 期刊论文 JOURNAL OF CHEMINFORMATICS, 2014, 卷号: 6 作者:  Liu, Xian;  Xu, Yuan;  Li, Shanshan;  Wang, Yulan;  Peng, Jianlong 收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08 Target fishing  Big data  Molecular fingerprints  Data fusion  Similarity searching