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CORC

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In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitors 期刊论文
Journal of Molecular Graphics and Modelling, 2019, 卷号: 86, 页码: 142-148
作者:  Huang, Yunyuan;  Chi, Bo;  Xu, Yanhong;  Song, Rongrong;  Wei, Lin
收藏  |  浏览/下载：33/0  |  提交时间：2019/12/23
DOX: A new computational protocol for accurate prediction of the protein-ligand binding structures 期刊论文
Journal of Computational Chemistry, 2016, 卷号: 37, 期号: 3, 页码: 336-344
作者:  Rao, Li*;  Chi, Bo;  Ren, Yanliang;  Li, Yongjian;  Xu, Xin
收藏  |  浏览/下载：9/0  |  提交时间：2019/12/23
Nonfitting protein-ligand interaction scoring function based on first-principles theoretical chemistry methods: Development and application on kinase inhibitors 期刊论文
http://dx.doi.org/10.1002/jcc.23303, 2013
Rao, Li; Zhang, Igor Ying; Guo, Wenping; Feng, Li; Meggers, Eric; Xu, Xin; 徐昕; ERIC MEGGERS
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
XO: An extended ONIOM method for accurate and efficient modeling of large systems 期刊论文
http://dx.doi.org/10.1002/jcc.23051, 2012
Guo, Wenping; Wu, Anan; Zhang, Igor Ying; Xu, Xin; 吴安安; 徐昕
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
XO:扩展 ONIOM 方法用于大分子体系的精确高效计算 学位论文
2012, 2012
郭文平
收藏  |  浏览/下载：1/0  |  提交时间：2016/02/14
Exploring the Sodium Cation Location and Aluminum Distribution in ZSM-5: A Systematic Study by the Extended ONIOM (XO) Method 期刊论文
2011
Chu, Zhen-Kun; Fu, Gang; 傅刚; Guo, Wenping; Xu, Xin; 徐昕
收藏  |  浏览/下载：3/0  |  提交时间：2012/02/28
XO: An extended ONIOM method for accurate and efficient geometry optimization of large molecules 期刊论文
http://dx.doi.org/10.1016/j.cplett.2010.08.033, 2010
Guo, Wenping; Wu, Anan; Xu, Xin; 吴安安; 徐昕
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Ring opening versus ring expansion in rearrangement of bicyclic cyclobutylcarbinyl radicals 期刊论文
2010, 2010
Shi, Jing; Chong, Sha-Sha; Fu, Yao; Guo, Qing-Xiang; Liu, Lei
收藏  |  浏览/下载：2/0
Hybrid Qm/Mm Simulation Of The Hydration Phenomena Of Dipalmitoylphosphatidylcholine Headgroup 期刊论文
Journal of Colloid and Interface Science, 2009, 卷号: 329, 期号: 2, 页码: 410-415
作者:  Yin J(尹俊);  Zhao YP(赵亚溥);  Zhao YP
收藏  |  浏览/下载：777/71  |  提交时间：2009/08/03
Theoretical predictions of P-31 NMR chemical shift threshold of trimethylphosphine oxide absorbed on solid acid catalysts 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 卷号: 112, 期号: 15, 页码: 4496-4505
作者:  Zheng, Anmin;  Zhang, Hailu;  Lu, Xin;  Liu, Shang-Bin;  Deng, Feng
收藏  |  浏览/下载：17/0  |  提交时间：2015/10/13

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