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浏览/检索结果: 共84条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Computationally Elucidating the Binding Kinetics for Different AChE Inhibitors to Access the Rationale for Improving the Drug Efficacy 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2022, 页码: 9 作者:  Bai, Fang;  Jiang, Hualiang   |  收藏  |  浏览/下载：13/0  |  提交时间：2022/11/11 Replica Exchange Molecular Dynamics 期刊论文  OAI收割 PROGRESS IN CHEMISTRY, 2022, 卷号: 34, 期号: 2, 页码: 384-396 作者:  Peng, Cheng;  Wu, Leyun;  Xu, Zhijian;  Zhu, Weiliang   |  收藏  |  浏览/下载：13/0  |  提交时间：2022/08/16 replica exchange molecular dynamics  variation  sampling efficiency  number of replica  conformational change   Oscillating state transition in pinned nanobubbles with coupled fluctuations 期刊论文  OAI收割 PHYSICAL REVIEW E, 2021, 卷号: 104, 期号: 6, 页码: 7 作者:  Guo, Zhenjiang;  Zhang, Hongguang;  Zhang, Xianren;  Doi, Masao   |  收藏  |  浏览/下载：12/0  |  提交时间：2022/02/16 Increasing the Sampling Efficiency of Protein Conformational Change by Combining a Modified Replica Exchange Molecular Dynamics and Normal Mode Analysis 期刊论文  OAI收割 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 1, 页码: 13-28 作者:  Peng, Cheng;  Wang, Jinan;  Shi, Yulong;  Xu, Zhijian;  Zhu, Weiliang   |  收藏  |  浏览/下载：16/0  |  提交时间：2021/05/24 Unraveling strongly entropic effect on beta-relaxation in metallic glass: Insights from enhanced atomistic samplings over experimentally relevant timescales 期刊论文  OAI收割 PHYSICAL REVIEW B, 2020, 卷号: 102, 期号: 17, 页码: 174103 作者:  Yang YB(杨一博);  Yang Q;  Wei D(魏丹);  Dai LH(戴兰宏);  Yu HB   |  收藏  |  浏览/下载：25/0  |  提交时间：2020/12/28 ENERGY LANDSCAPE  SECONDARY RELAXATIONS  MECHANICAL-BEHAVIOR  SUPERCOOLED LIQUIDS  DEFORMATION  DYNAMICS  PLASTICITY  SIGNATURES  DIFFUSION   Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation 期刊论文  OAI收割 BIOPHYSICAL JOURNAL, 2020, 卷号: 118, 期号: 5, 页码: 1009-1018 作者:  Wang, Jinan;  Peng, Cheng;  Yu, Yuqu;  Chen, Zhaoqiang;  Xu, Zhijian   |  收藏  |  浏览/下载：17/0  |  提交时间：2020/07/01 Characterization of implementation limits and identification of optimization strategies for sustainable water resource recovery through life cycle impact analysis 期刊论文  OAI收割 ENVIRONMENT INTERNATIONAL, 2019, 卷号: 133, 页码: - 作者:  Pan, Yi-Rong;  Wang, Xu;  Ren, Zhiyong Jason;  Hu, Chengzhi;  Liu, Junxin   |  收藏  |  浏览/下载：62/0  |  提交时间：2020/09/10 Resource recovery  Wastewater reclamation  Agricultural irrigation  Life cycle impact analysis  Optimization strategy  Environmental sustainability   Approximating dynamic proximity with a hybrid geometry energy-based kernel for diffusion maps 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 10, 页码: 11 作者:  Tan, Qingzhe;  Duan, Mojie;  Li, Minghai;  Han, Li   |  收藏  |  浏览/下载：54/0  |  提交时间：2020/01/14 Nonnative contact effects in protein folding 期刊论文  OAI收割 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 22, 页码: 11924-11936 作者:  Shao, Qiang;  Zhu, Weiliang   |  收藏  |  浏览/下载：7/0  |  提交时间：2020/07/01 Glucose production from lignocellulosic biomass using a membrane-based polymeric solid acid catalyst 期刊论文  OAI收割 BIOMASS & BIOENERGY, 2018, 卷号: 117, 页码: 137-145 作者:  Qi, Benkun;  Anh Vu;  Wickramasinghe, S. Ranil;  Qian, Xianghong   |  收藏  |  浏览/下载：32/0  |  提交时间：2018/10/11 Biomass  Cellulose  Glucose  Solid Acid Catalyst  Membrane