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Comparative study on the adsorption behaviors of O and Cl on Fe(110) surfaces with different Cr content 期刊论文
MATERIALS TODAY COMMUNICATIONS, 2020, 卷号: 24, 页码: 8
作者:  Yin, Xiaoran;  Wang, Haitao;  Sun, Sheng;  Han, En-Hou
收藏  |  浏览/下载:11/0  |  提交时间:2021/02/02
How Does the O-6-Methylation Regulate the Excited-State Decay of Guanine Monomers 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 1, 页码: 201-206
作者:  Zhou, Panwang;  Zhao, Li
收藏  |  浏览/下载:38/0  |  提交时间:2019/06/20
How does the o-6-methylation regulate the excited-state decay of guanine monomers 期刊论文
Journal of physical chemistry b, 2019, 卷号: 123, 期号: 1, 页码: 201-206
作者:  Zhou, Panwang;  Zhao, Li
收藏  |  浏览/下载:51/0  |  提交时间:2019/05/08
The effects of implicit modeling of nonpolar solvation on protein folding simulations 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 27, 页码: 18410-18419
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载:8/0  |  提交时间:2019/01/08
Assessing AMBER force fields for protein folding in an implicit solvent 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 10, 页码: 7206-7216
作者:  Shao, Oiang;  Zhu, Weiliang
收藏  |  浏览/下载:20/0  |  提交时间:2019/01/08
A Finite Element Solution of Lateral Periodic Poisson-Boltzmann Model for Membrane Channel Proteins 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 3, 页码: 17
作者:  Ji, Nan;  Liu, Tiantian;  Xu, Jingjie;  Shen, Longzhu Q.;  Lu, Benzhuo
收藏  |  浏览/下载:23/0  |  提交时间:2018/07/30
CHARMM-GUI 10 years for biomolecular modeling and simulation 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 15, 页码: 1114-1124
作者:  Jo, Sunhwan;  Cheng, Xi;  Lee, Jumin;  Kim, Seonghoon;  Park, Sang-Jun
收藏  |  浏览/下载:21/0  |  提交时间:2019/01/08
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
Accuracy and efficiency in computing electrostatic potential for an ion channel model in layered dielectric/electrolyte media 其他
2014-01-01
Lin, Huimin; Tang, Huazhong; Cai, Wei
收藏  |  浏览/下载:7/0  |  提交时间:2015/11/10
Mechanism of aquation and nucleobase binding of ruthenium (II) and osmium (II) arene complexes: A systematic comparison DFT study 期刊论文
journal of organometallic chemistry, 2012, 卷号: 704, 页码: 17-28
作者:  Wang, Hanlu;  DeYonker, Nathan J.;  Gao, Hui;  Ji, Liangnian;  Zhao, Cunyuan
收藏  |  浏览/下载:9/0  |  提交时间:2016/10/27


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