机构

• 上海药物研究所 [8]
• 长春光学精密机械与物... [5]
• 遥感与数字地球研究所 [5]
• 过程工程研究所 [5]
• 自动化研究所 [4]
• 昆明植物研究所 [3]
• 更多

采集方式

• OAI收割 [45]

内容类型

• 期刊论文 [29]
• 会议论文 [13]
• 学位论文 [3]

发表日期

• 2025 [1]
• 2023 [1]
• 2022 [1]
• 2021 [2]
• 2020 [4]
• 2019 [2]
• 更多

学科主题

• Computer S... [1]
• Engineerin... [1]
• Physics [1]

筛选

浏览/检索结果: 共45条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择作者升序作者降序发表日期升序发表日期降序题名升序题名降序提交时间升序提交时间降序 Drug Target Investigation of N-p-Coumaroyl-N'-Caffeoylputrescine, a Naturally-Occurring Alkaloid Derived from Saxifraga tangutica 期刊论文  OAI收割 ANTIOXIDANTS, 2025, 卷号: 14, 期号: 1 作者:  Liu, Chuang;  Dang, Jun;  Wu, Minchen   |  收藏  |  浏览/下载：14/0  |  提交时间：2025/11/27 Saxifraga tangutica  N-p-coumaroyl-N'-caffeoylputrescine  drug affinity responsive target stability  reverse virtual docking  molecular dynamics simulation   Numerical simulation of fluidization: Driven by challenges 期刊论文  OAI收割 POWDER TECHNOLOGY, 2023, 卷号: 414, 页码: 11 作者:  Zhang, Yong;  Xu, Ji;  Chang, Qi   |  收藏  |  浏览/下载：64/0  |  提交时间：2023/02/24 Simulation model  Mesoscale  Multiscale method  Coarse-graining  Supercomputing  Virtual process engineering   Numerical evaluation of virtual mass force coefficient of single solid particles in acceleration 期刊论文  OAI收割 CHINESE JOURNAL OF CHEMICAL ENGINEERING, 2022, 卷号: 41, 页码: 210-219 作者:  Mao, Zai-Sha;  Yang, Chao   |  收藏  |  浏览/下载：42/0  |  提交时间：2022/06/15 Total drag coefficient  Virtual mass force  Solid particle  Numerical simulation  Vorticity-stream function formulation   An Integrated Deep Learning and Molecular Dynamics Simulation-Based Screening Pipeline Identifies Inhibitors of a New Cancer Drug Target TIPE2 期刊论文  OAI收割 FRONTIERS IN PHARMACOLOGY, 2021, 卷号: 12, 页码: 13 作者:  Zhang, Haiping;  Li, Junxin;  Saravanan, Konda Mani;  Wu, Hao;  Wang, Zhichao   |  收藏  |  浏览/下载：67/0  |  提交时间：2022/06/21 TIPE2  UM-164  virtual screening  deep learning  molecular dynamics simulation   Discovery of novel modulators targeting human TRPC5: Docking-based virtual screening, molecular dynamics simulation and binding af fi nity predication 期刊论文  OAI收割 JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 102, 页码: 107795 作者:  Liu,Bin;  Zhang,Wei;  Guo,Sheng;  Zuo,Zhili   |  收藏  |  浏览/下载：85/0  |  提交时间：2022/04/02 hTRPC5  Homology modeling  Molecular docking  Molecular dynamics simulation  Virtual screening  INHIBITOR  CHANNELS  GROMACS  POTENT  AMBER  IDENTIFICATION  CONSTRAINTS  INTEGRATION  AMYGDALA   The development and application of digital refueling mock-up for China initiative accelerator driven system 期刊论文  OAI收割 PROGRESS IN NUCLEAR ENERGY, 2020, 卷号: 127, 页码: 9 作者:  Li Jin-Yang;  Gu Long;  He Zhi-Yong;  Zhang You-Peng;  Xu Hu-Shan   |  收藏  |  浏览/下载：76/0  |  提交时间：2021/12/15 CiADS  Immersive virtual reality  Collision detection  Refueling simulation  Fast ray-casting method   Discovery of a potent and selective adenylyl cyclase type 8 agonist by docking-based virtual screening 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2020, 卷号: 30, 期号: 2, 页码: 7 作者:  Weng, Zhiying;  Xu, Guowei;  Chen, Dingyuan;  Yang, Yaqing;  Song, Gao   |  收藏  |  浏览/下载：67/0  |  提交时间：2020/03/18 Adenylyl cyclases  Homology modeling  Consensus scoring  Molecular dynamics simulation  Virtual screening  Biological evaluation   ITER极向场线圈维修过程及照射剂量虚拟仿真 期刊论文  OAI收割 核科学与工程, 2020, 卷号: 40 -   |  收藏  |  浏览/下载：67/0  |  提交时间：2020/10/26 ITER  Occupational Radiation Exposure  Virtual reality-based Simulation  PF4  SuperMC/VisualDose  ITER  职业照射剂量  虚拟仿真  极向场线圈  SuperMC/VisualDose   Identification and Assessments of Novel and Potent Small-Molecule Inhibitors of EED-EZH2 Interaction of Polycomb Repressive Complex 2 by Computational Methods and Biological Evaluations 期刊论文  OAI收割 CHEMICAL & PHARMACEUTICAL BULLETIN, 2020, 卷号: 68, 期号: 1, 页码: 58-63 作者:  Zhu, Kongkai;  Du, Daohai;  Yang, Rui;  Tao, Hongrui;  Zhang, Hua   |  收藏  |  浏览/下载：50/0  |  提交时间：2020/07/01 polycomb repressive complex 2  EZH2-EED interaction inhibitor  virtual screening  molecular dynamics simulation   Effective Virtual Screening Strategy toward heme-containing proteins: Identification of novel IDO1 inhibitors 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 184, 页码: 23 作者:  Zou, Yi;  Hu, Yue;  Ge, Shushan;  Zheng, Yingbo;  Li, Yuezhen   |  收藏  |  浏览/下载：82/0  |  提交时间：2020/07/01 IDO1  Heme  T cell  Cancer immunotherapy  Virtual screening  Drug design  Molecular dynamics simulation