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| In silico structure prediction and inhibition mechanism studies of AtHDA14 as revealed by homology modeling, docking, molecular dynamics simulation. 期刊论文
Computational biology and chemistry, 2018, 卷号: Vol.75, 页码: 120-130
作者: Zhao Ming-Lang; Wang Wang; Nie Hu; Cao Sha-Sha; Du Lin-Fang
  收藏 | 浏览/下载：3/0 | 提交时间：2019/02/25
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| Binding behavior of trelagliptin and human serum albumin: Molecular docking, dynamical simulation, and multi-spectroscopy. 期刊论文
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2018, 卷号: Vol.202, 页码: 187-195
作者: Gan Ruixue; Zhao Ludan; Sun Qiaomei; Tang Peixiao; Zhang Shuangshuang
收藏 | 浏览/下载：10/0 | 提交时间：2019/02/25
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| Discovery of novel indoleamine 2,3-dioxygenase 1 inhibitors by virtual screening. 期刊论文
Computational biology and chemistry, 2018, 卷号: Vol.78, 页码: 306-316
作者: Zhou Yeheng; Peng Jiale; Li Penghua; Du Haibo; Li Yaping
收藏 | 浏览/下载：9/0 | 提交时间：2019/02/25
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| Docking and molecular dynamics studies on the mechanism of phospholipase D-mediated transphosphatidylation to construct the reaction kinetic model: Application in phosphatidylserine production 期刊论文
Journal of the Taiwan Institute of Chemical Engineers, 2018
作者: Jiao Wang; Binglin Li; Xiaoli Zhang; Quanjun Hu; Wenyu Yu
收藏 | 浏览/下载：6/0 | 提交时间：2019/02/25
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| Semi-synthesis, antibacterial activity, and molecular docking study of novel pleuromutilin derivatives bearing cinnamic acids moieties. 期刊论文
Archiv der Pharmazie, 2018, 页码: e1800266
作者: Deng Yu; Tang Da; Wang Qiu-Ru; Huang Sheng; Fu Li-Zhi
收藏 | 浏览/下载：1/0 | 提交时间：2019/02/25
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| Semi-synthesis, antibacterial activity, and molecular docking study of novel pleuromutilin derivatives bearing cinnamic acids moieties. 期刊论文
Archiv der Pharmazie, 2018, 页码: e1800266
作者: Deng Yu; Tang Da; Wang Qiu-Ru; Huang Sheng; Fu Li-Zhi
收藏 | 浏览/下载：3/0 | 提交时间：2019/02/25
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| Characterization of the binding of a novel antitumor drug ibrutinib with human serum albumin: Insights from spectroscopic, calorimetric and docking studies. 期刊论文
Journal of photochemistry and photobiology. B, Biology, 2018, 卷号: Vol.184, 页码: 18-26
作者: Tang Bin; Tang Peixiao; He Jiawei; Yang Hongqin; Li Hui
收藏 | 浏览/下载：9/0 | 提交时间：2019/02/28
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| Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1 期刊论文
Computational Biology and Chemistry, 2018
作者: Yaping Li; Jiale Peng; Yeheng Zhou; Penghua Li; Yingying Li
收藏 | 浏览/下载：3/0 | 提交时间：2019/02/28
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| Screening of Novel Histone Deacetylase 7 Inhibitors through Molecular Docking Followed by a Combination of Molecular Dynamics Simulations and Ligand-Based Approach. 期刊论文
Journal of biomolecular structure & dynamics, 2018, 页码: 1-30
作者: Yuan Yuan; Hu Zongyue; Bao Minyue; Sun Rong; Long Xin
收藏 | 浏览/下载：10/0 | 提交时间：2019/02/28
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