机构

• 上海药物研究所 [218]

采集方式

• OAI收割 [218]

内容类型

• 期刊论文 [207]
• 学位论文 [6]
• 会议论文 [5]

发表日期

• 2023 [5]
• 2022 [8]
• 2021 [12]
• 2020 [10]
• 2019 [17]
• 2018 [11]
• 更多

学科主题

• Biochemist... [7]
• Biophysics [7]
• Chemistry [3]
• Computer S... [2]
• Crystallog... [1]
• Life Scien... [1]
• 更多

筛选

浏览/检索结果: 共218条，第1-10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     条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing 期刊论文  OAI收割 NATURE COMMUNICATIONS, 2024, 卷号: 15, 期号: 1, 页码: 13 作者:  Wang, Yusong;  Wang, Tong;  Li, Shaoning;  He, Xinheng;  Li, Mingyu   |  收藏  |   The emergence of machine learning force fields in drug design 期刊论文  OAI收割 MEDICINAL RESEARCH REVIEWS, 2024, 页码: 36 作者:  Chen, Mingan;  Jiang, Xinyu;  Zhang, Lehan;  Chen, Xiaoxu;  Wen, Yiming   |  收藏  |   Identification of a carbohydrate recognition motif of purinergic receptors 期刊论文  OAI收割 ELIFE, 2023, 卷号: 12, 页码: 17 作者:  Zhao, Lifen;  Wei, Fangyu;  He, Xinheng;  Dai, Antao;  Yang, Dehua   |  收藏  |   Structure-Based Ligand Discovery Targeting the Transmembrane Domain of Frizzled Receptor FZD7 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2023, 页码: 14 作者:  Li, Cuixia;  Wu, Yiran;  Wang, Wenli;  Xu, Lu;  Zhou, Yan   |  收藏  |   AIMD-Chig: Exploring the conformational space of a 166-atom protein Chignolin with ab initio molecular dynamics 期刊论文  OAI收割 SCIENTIFIC DATA, 2023, 卷号: 10, 期号: 1, 页码: 12 作者:  Wang, Tong;  He, Xinheng;  Li, Mingyu;  Shao, Bin;  Liu, Tie-Yan   |  收藏  |   Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 153, 页码: 7 作者:  Wu, Leyun;  Wang, Guangpu;  Zhou, Liping;  Mo, Mengxia;  Shi, Yulong   |  收藏  |   Ginkgolic acids inhibit SARS-CoV-2 and its variants by blocking the spike protein/ACE2 interplay 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2023, 卷号: 226, 页码: 780-792 作者:  Xiang, Yusen;  Zhai, Guanglei;  Li, Yaozong;  Wang, Mengge;  Chen, Xixiang   |  收藏  |   Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2022, 页码: 11 作者:  Zhao, Li-hua;  Yuan, Qing-ning;  Dai, An-tao;  He, Xin-heng;  Chen, Chuan-wei   |  收藏  |   Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay 期刊论文  OAI收割 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2022, 页码: 11 作者:  Zhou, Liping;  Liu, Tingting;  Mo, Mengxia;  Shi, Yulong;  Wu, Leyun   |  收藏  |   Mechanism of unusual AQP6 activation by mercury binding to a pore-external residue C155 期刊论文  OAI收割 BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2022, 卷号: 618, 页码: 1-7 作者:  Ma, Shaojie;  Xie, Huayong;  Yu, Kunqian;  Yang, Jun   |  收藏  |