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• 西北高原生物研究所 [91]
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• OAI收割 [115]
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• 2023 [1]
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• 力学 [2]
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浏览/检索结果: 共116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 Preferred microenvironments of halogen bonds and hydrogen bonds revealed using statistics and QM/MM calculation studies 期刊论文  OAI收割 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 26, 页码: 17692-17699 作者:  Zhou, Liping;  Li, Jintian;  Shi, Yulong;  Wu, Leyun;  Zhu, Weiliang   |  收藏  |  浏览/下载：21/0  |  提交时间：2023/10/17 Unsupervised learning of depth estimation from imperfect rectified stereo laparoscopic images 期刊论文  OAI收割 Computers in Biology and Medicine, 2022, 卷号: 140, 页码: 1-12 作者:  Luo HL(罗火灵);  Wang, Congcong;  Duan, Xingguang;  Liu H(刘浩);  Wang, Ping   |  收藏  |  浏览/下载：35/0  |  提交时间：2021/12/20 Unsupervised learning  Depth estimation  Stereo matching  Laparoscopic image  Imperfect rectified stereo images   Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations 期刊论文  OAI收割 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 12, 页码: 6242-6250 作者:  Abula, Amina;  Xu, Zhijian;  Zhu, Zhengdan;  Peng, Cheng;  Chen, Zhaoqiang   |  收藏  |  浏览/下载：22/0  |  提交时间：2021/05/24 Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations 期刊论文  OAI收割 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 12, 页码: 6242-6250 作者:  Abula, A (Abula, Amina)[ 1,2,3,4,5 ];  Xu, ZJ (Xu, Zhijian)[ 3,4,5 ];  Zhu, ZD (Zhu, Zhengdan)[ 3,4,5 ];  Peng, C (Peng, Cheng)[ 3,4,5 ];  Chen, ZQ (Chen, Zhaoqiang)[ 3,4,5 ]   |  收藏  |  浏览/下载：11/0  |  提交时间：2021/03/19 Molecular docking, binding free energy analysis, and biological evaluation of bisabolonalone hydrazone carboxamides as H+,K+-ATPase reversible inhibitors 期刊论文  OAI收割 MEDICINAL CHEMISTRY RESEARCH, 2018, 卷号: 27, 期号: 1, 页码: 332-340 作者:  She, Xin-Xin;  Dong, Qing;  Luo, Hua-Jun;  Wang, Jun-Zhi;  Huang, Nian-Yu   |  收藏  |  浏览/下载：46/0  |  提交时间：2019/06/20 Molecular Docking  Binding  Free Energy  Bisabolonalone Hydrazone Carboxamides  H++  k+-atpase   Computational insights into the interaction mechanism of triazolyl substituted tetrahydrobenzofuran derivatives with H+,K+-ATPase at different pH 期刊论文  OAI收割 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2016, 卷号: 30, 期号: 1, 页码: 27-37 作者:  Luo, Hua-Jun;  Wang, Jun-Zhi;  Huang, Nian-Yu;  Deng, Wei-Qiao;  Zou, Kun   |  收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20 Potassium-competitive Acid Blockers  Induced-fit Docking  Binding Free Energy  Protonated Form  H++  k+-atpase   Thermodynamics calculation of protein- ligand interactions by QM/ MM polarizable charge parameters 期刊论文  OAI收割 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2016, 卷号: 34, 期号: 1, 页码: 163-176 作者:  Wang, Jinan;  Shao, Qiang;  Cossins, Benjamin P.;  Shi, Jiye;  Chen, Kaixian   |  收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08 QM/MM  binding free energy calculation  MM/GBSA calculation  electrostatic interaction  drug design   A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation 期刊论文  OAI收割 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2015, 卷号: 33, 期号: 12, 页码: 2606-2618 作者:  Chen, Jianzhong;  Wang, Jinan;  Zhang, Qinggang;  Chen, Kaixian;  Zhu, Weiliang   |  收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08 QM  MM molecular dynamics simulations  MM-GBSA method  trypsin specificity  semi-empirical Hamiltonian  binding free energies   Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA Calculation 期刊论文  OAI收割 SCIENTIFIC REPORTS, 2015, 卷号: 5 作者:  Chen, Jianzhong   |  收藏  |  浏览/下载：19/0  |  提交时间：2019/01/08 Influences of Conjugation Extent on the Aggregation-Induced Emission Quantum Efficiency in Silole Derivatives: A Computational Study 期刊论文  OAI收割 CHEMISTRY-AN ASIAN JOURNAL, 2015, 卷号: 10, 期号: 10, 页码: 2154-2161 作者:  Xie, Yujun;  Zhang, Tian;  Li, Zhen;  Peng, Qian;  Yi, Yuanping 收藏  |  浏览/下载：31/0  |  提交时间：2015/11/17 aggregation-induced emission  excited state radiative and non-radiative decay rate constants  fluorescence quantum efficiency  QM/MM calculation  photophysics  siloles