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Intramolecular Charge Transfer and Solvation of Photoactive Molecules with Conjugated Push-Pull Structures 期刊论文
CHEMPHYSCHEM, 2016, 卷号: 17, 期号: 20, 页码: 3245-3251
作者:  Zhu, Huaning;  Wang, Xian;  Ma, Renjun;  Kuang, Zhuoran;  Guo, Qianjin
收藏  |  浏览/下载:151/0  |  提交时间:2016/12/29
Uncovering the Sensitivity of Amide-II Vibration to Peptide-Ion Interactions 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 36, 页码: 9590-9598
作者:  Zhao, Juan;  Wang, Jianping
收藏  |  浏览/下载:10/0  |  提交时间:2016/12/29
Automated Parallel and Body-Fitted Mesh Generation in Finite Element Simulation of Macromolecular Systems 期刊论文
COMMUNICATIONS IN COMPUTATIONAL PHYSICS, 2016, 卷号: 19, 期号: 3, 页码: 582-602
作者:  Xie, Yan;  Liu, Tiantian;  Tu, Bin;  Lu, Benzhuo;  Zhang, Linbo
收藏  |  浏览/下载:18/0  |  提交时间:2018/07/30
Gating mechanism of mechanosensitive channel of large conductance: a coupled continuum mechanical-continuum solvation approach 期刊论文
BIOMECHANICS AND MODELING IN MECHANOBIOLOGY, 2016, 卷号: 15, 期号: [db:dc_citation_issue], 页码: 1557-1576
作者:  Zhu, Liangliang;  Wu, Jiazhong;  Liu, Ling;  Liu, Yilun;  Yan, Yuan
收藏  |  浏览/下载:7/0  |  提交时间:2019/12/02
Simultaneous Optimization of Biomolecular Energy Functions on Features from Small Molecules and Macromolecules 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016
Park, Hahnbeom; Bradley, Philip; Greisen, Per, Jr.; Liu, Yuan; Mulligan, Vikram Khipple; Kim, David E.; Baker, David; DiMaio, Frank
收藏  |  浏览/下载:5/0  |  提交时间:2017/12/03
Gating mechanism of mechanosensitive channel of large conductance: a coupled continuum mechanical-continuum solvation approach. 期刊论文
Biomechanics and modeling in mechanobiology, 2016, 卷号: 15, 页码: 1557-1576
作者:  Zhu Liangliang;  Wu Jiazhong;  Liu Ling;  Liu Yilun;  Yan Yuan
收藏  |  浏览/下载:3/0  |  提交时间:2019/11/26
Ethylene glycol reforming on Pt(111): first-principles microkinetic modeling in vapor and aqueous phases 期刊论文
Catalysis Science & Technology, 2016, 卷号: 6, 期号: 23, 页码: 8242-8256
作者:  Lu, Jianmin;  Faheem, Muhammad;  Saleheen, Mohammad;  Heyden, Andreas
收藏  |  浏览/下载:14/0  |  提交时间:2017/10/29
Comparison of prediction methods for octanol-air partition coefficients of diverse organic compounds 期刊论文
CHEMOSPHERE, 2016, 卷号: 148, 页码: 118-125
作者:  Fu, Zhiqiang;  Chen, Jingwen;  Li, Xuehua;  Wang, Ya'nan;  Yu, Haiying
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/09


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