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浏览/检索结果: 共38条，第1-10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 A Peptide Binder of E3 Ligase Adaptor SPOP Disrupts Oncogenic SPOP-Protein Interactions in Kidney Cancer Cells 期刊论文 CHINESE JOURNAL OF CHEMISTRY, 2020, 页码: 274-280 作者:  Wang, Zhen;  Zhang, Hao;  Chen, Baoen;  Ouyang, Sisheng;  Zheng, Tong 收藏  |  浏览/下载：123/0  |  提交时间：2021/05/24 SPOP  Protein‐  protein interaction  Clear cell Renal Cell Carcinomas  Crystal structure  Peptide inhibitor   Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 卷号: 11, 期号: 24, 页码: 10482-10488 作者:  Peng, Cheng;  Zhu, Zhengdan;  Shi, Yulong;  Wang, Xiaoyu;  Mu, Kaijie 收藏  |  浏览/下载：29/0  |  提交时间：2021/05/24 Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs 期刊论文 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2020, 卷号: 117, 期号: 44, 页码: 27381-27387 作者:  Li, Zhe;  Li, Xin;  Huang, Yi-You;  Wu, Yaoxing;  Liu, Runduo 收藏  |  浏览/下载：73/0  |  提交时间：2020/12/24 virtual screening  SARS-CoV-2  drug repurposing  free energy perturbation  main protease   MSpectraAI: a powerful platform for deciphering proteome profiling of multi-tumor mass spectrometry data by using deep neural networks 期刊论文 BMC BIOINFORMATICS, 2020, 卷号: 21, 期号: 1, 页码: 15 作者:  Wang, Shisheng;  Zhu, Hongwen;  Zhou, Hu;  Cheng, Jingqiu;  Yang, Hao 收藏  |  浏览/下载：54/0  |  提交时间：2020/12/24 Raw mass spectrometry data  Proteome profiling  Feature swath extraction  Deep neural networks  Multi-tumor types  Leave-one-out cross prediction strategy   Structure-based design, synthesis and bioactivity evaluation of macrocyclic inhibitors of mutant isocitrate dehydrogenase 2 (IDH2) displaying activity in acute myeloid leukemia cells 期刊论文 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 203, 页码: 19 作者:  Che, Jinxin;  Huang, Feng;  Zhang, Mengmeng;  Xu, Gaoya;  Qu, Bingxue 收藏  |  浏览/下载：21/0  |  提交时间：2020/12/21 Metabolic pathways  Isocitrate dehydrogenase 2  Conformational restriction  Macrocyclic derivatives  Inhibitors   Structure-based design, synthesis and bioactivity evaluation of macrocyclic inhibitors of mutant isocitrate dehydrogenase 2 (IDH2) displaying activity in acute myeloid leukemia cells 期刊论文 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 203, 页码: 19 作者:  Che, Jinxin;  Huang, Feng;  Zhang, Mengmeng;  Xu, Gaoya;  Qu, Bingxue 收藏  |  浏览/下载：21/0  |  提交时间：2020/12/21 Metabolic pathways  Isocitrate dehydrogenase 2  Conformational restriction  Macrocyclic derivatives  Inhibitors   Rare new bicyclic cembranoid ethers and a novel trihydroxy prenylated guaiane from the Xisha soft coral Lobophytum sp 期刊论文 BIOORGANIC CHEMISTRY, 2020, 卷号: 103, 页码: 12 作者:  Li, Song-Wei;  Cuadrado, Cristina;  Huan, Xia-Juan;  Yao, Li-Gong;  Miao, Ze-Hong 收藏  |  浏览/下载：10/0  |  提交时间：2020/12/21 Soft coral  Lobophytum  Cembranoids  Marine natural products  Quantum mechanical calculations   Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding 期刊论文 JOURNAL OF MOLECULAR MODELING, 2020, 卷号: 26, 期号: 10, 页码: 12 作者:  Zhang, Qihua;  Smalley, Adam;  Zhu, Zhengdan;  Xu, Zhijian;  Peng, Cheng 收藏  |  浏览/下载：50/0  |  提交时间：2020/12/21 Halogen bonding  Fused-ring heteroaromatics  Quantum chemistry calculation  sigma-hole  Electrostatic potential  Binding energy   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：27/0  |  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