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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
Conformation switching of AIM2 PYD domain revealed by NMR relaxation and MD simulation 期刊论文
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2016
Wang, Haobo; Yang, Lijiang; Niu, Xiaogang
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
细菌化学趋向性受体聚集体的相互作用 期刊论文
物理化学学报, 2014
余大启; 涂豫海; 来鲁华
收藏  |  浏览/下载：7/0  |  提交时间：2015/11/12
Molecular docking and molecular dynamics studies on the structure-activity relationship of fluoroquinolone for the HERG channel 期刊论文
分子生物系统, 2014
Luo, Fang; Gu, Jiangyong; Chen, Lirong; Xu, Xiaojie
收藏  |  浏览/下载：3/0  |  提交时间：2015/11/10
Break CDK2/Cyclin E1 Interface Allosterically with Small Peptides 期刊论文
plos one, 2014
Chen, Hao; Zhao, Yunjie; Li, Haotian; Zhang, Dongyan; Huang, Yanzhao; Shen, Qi; Van Duyne, Rachel; Kashanchi, Fatah; Zeng, Chen; Liu, Shiyong
收藏  |  浏览/下载：5/0  |  提交时间：2015/11/11
Insights into the inhibition and mechanism of compounds against LPS-induced PGE(2) production: a pathway network-based approach and molecular dynamics simulations 期刊论文
integrative biology, 2014
Zhang, Xinzhuang; Gu, Jiangyong; Cao, Liang; Ma, Yimin; Su, Zhenzhen; Luo, Fang; Wang, Zhenzhong; Li, Na; Yuan, Gu; Chen, Lirong; Xu, Xiaojie; Xiao, Wei
收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11
Prediction of binding for a kind of non-peptic HCVNS3 serine protease inhibitors from plants by molecular docking and MM-PBSA method 期刊论文
生物有机化学与医药化学, 2007
Li, Xudong; Zhang, Wei; Qiao, Xuebin; Xu, Xiajjie
收藏  |  浏览/下载：6/0  |  提交时间：2015/11/11
Binding affinity of hydroxamate inhibitors of matrix metalloproteinase-2 期刊论文
journal of molecular modeling, 2004
Zhang, W; Hou, TJ; Qiao, XB; Huai, S; Xu, XJ
收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11
Parameters for the generalized born model consistent with RESP atomic partial charge assignment protocol 期刊论文
journal of physical chemistry b, 2003
Zhang, W; Hou, TJ; Qiao, XB; Xu, XJ
收藏  |  浏览/下载：5/0  |  提交时间：2015/11/12
Unique conformer selection of human growth-regulatory lectin galectin-1 for ganglioside GM(1) versus bacterial toxins 期刊论文
biochemistry us, 2003
Siebert, HC; Andre, S; Lu, SY; Frank, M; Kaltner, H; van Kuik, JA; Korchagina, EY; Bovin, N; Tajkhorshid, E; Kaptein, R; Vliegenthart, JFG; von der Lieth, CW; Jimenez-Barbero, J; Kopitz, J; Gabius, HJ
收藏  |  浏览/下载：5/0  |  提交时间：2015/11/16

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