机构

• 近代物理研究所 [3]
• 力学研究所 [2]
• 生态环境研究中心 [1]

采集方式

• OAI收割 [6]

内容类型

• 期刊论文 [6]

发表日期

• 2023 [1]
• 2021 [1]
• 2020 [1]
• 2019 [1]
• 2018 [1]
• 2017 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共6条，第1-6条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择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作者升序作者降序 Fundamental links between shear transformation, fi relaxation, and string-like motion in metallic glasses 期刊论文  OAI收割 ACTA MATERIALIA, 2023, 卷号: 246, 页码: 11 作者:  Zhou, ZhenYa;  Sun, Yang;  Gao, Liang;  Wang YJ(王云江);  Yu, HaiBin   |  收藏  |  浏览/下载：31/0  |  提交时间：2023/03/15 Metallic glasses  Plastic deformation  relaxation  String-like motion  Accelerated molecular dynamics   Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations 期刊论文  OAI收割 COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2021, 卷号: 19, 页码: 3978-3989 作者:     |  收藏  |  浏览/下载：27/0  |  提交时间：2021/12/08 hGPR40  Positive binding cooperativity  Partial agonist  AgoPAM  Gaussian accelerated molecular dynamics simulation   Mechanistic in silico modeling of bisphenols to predict estrogen and glucocorticoid disrupting potentials 期刊论文  OAI收割 SCIENCE OF THE TOTAL ENVIRONMENT, 2020, 卷号: 728, 页码: 1-11 作者:  Chen, Qinchang;  Zhou, Chengzhuo;  Shi, Wei;  Wang, Xiaoxiang;  Xia, Pu   |  收藏  |  浏览/下载：37/0  |  提交时间：2021/09/14 Endocrine disruptor  Estrogen receptor  Glucocorticoid receptor  Coregulators  Accelerated molecular dynamics simulations  Binding free energy   How Does Agonist and Antagonist Binding Lead to Different Conformational Ensemble Equilibria of the kappa-Opioid Receptor: Insight from Long-Time Gaussian Accelerated Molecular Dynamics Simulation 期刊论文  OAI收割 ACS CHEMICAL NEUROSCIENCE, 2019, 卷号: 10, 期号: 3, 页码: 1575-1584 作者:  An, Xiaoli;  Bai, Qifeng   |  收藏  |  浏览/下载：69/0  |  提交时间：2019/11/10 kappa-opioid receptor  Gaussian accelerated molecular dynamics simulation  agonist  antagonist  conformational change   A free energy landscape perspective on the nature of collective diffusion in amorphous solids 期刊论文  OAI收割 ACTA MATERIALIA, 2018, 卷号: 157, 页码: 165-173 作者:     |  收藏  |  浏览/下载：44/0  |  提交时间：2018/10/30 Metallic glasses  Collective diffusion  Accelerated molecular dynamics  Free energy landscape   Long-time atomistic dynamics through a new self-adaptive accelerated molecular dynamics method 期刊论文  OAI收割 JOURNAL OF PHYSICS-CONDENSED MATTER, 2017, 卷号: 29, 页码: 8 作者:  Gao, N.;  Yang, L.;  Gao, F.;  Kurtz, R. J.;  West, D.   |  收藏  |  浏览/下载：26/0  |  提交时间：2018/05/31 accelerated molecular dynamics  free energy surface  helium-vacancy cluster  Ostwald ripening mechanism  diffusion and growth