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CORC

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Picture-word order compound protein interaction: Predicting compound-protein interaction using structural images of compounds 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2021, 页码: 10
作者:  Qian, Ying;  Li, Xuelian;  Wu, Jian;  Zhou, Aimin;  Xu, Zhijian
收藏  |  浏览/下载：23/0  |  提交时间：2022/01/04
Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening 期刊论文
BIOMOLECULES, 2021, 卷号: 11, 期号: 7, 页码: 14
作者:  Zhou, Qingtong;  Guo, Wanjing;  Dai, Antao;  Cai, Xiaoqing;  Vass, Marton
收藏  |  浏览/下载：41/0  |  提交时间：2021/08/17
Molecular Dynamics Simulations Reveal the Modulated Mechanism of STING Conformation 期刊论文
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2021, 页码: 15
作者:  Chen, Li;  Zhao, Shuang;  Zhu, Yanyan;  Liu, Yongsheng;  Li, Huiyu
收藏  |  浏览/下载：26/0  |  提交时间：2021/08/17
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments 期刊论文
BIOINFORMATICS, 2020, 卷号: 36, 期号: 16, 页码: 4406-4414
作者:  Chen, Lifan;  Tan, Xiaoqin;  Wang, Dingyan;  Zhong, Feisheng;  Liu, Xiaohong
收藏  |  浏览/下载：17/0  |  提交时间：2021/05/24
Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 12, 页码: 6523-6537
作者:  Zhao, Jihui;  Cui, Rongrong;  Wang, Lihao;  Chen, Yingjia;  Fu, Zunyun
收藏  |  浏览/下载：25/0  |  提交时间：2020/12/24
CHARMM-GUI DEER facilitator for spin-pair distance distribution calculations and preparation of restrained-ensemble molecular dynamics simulations 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 页码: 6
作者:  Qi, Yifei;  Lee, Jumin;  Cheng, Xi;  Shen, Rong;  Islam, Shahidul M.
收藏  |  浏览/下载：16/0  |  提交时间：2020/07/01
Absorption Characteristics of Combination Medication of Realgar and : Transport across MDCK-MDR1 Cells and Pharmacokinetics in Mice after Oral Administration 期刊论文
Evidence-based complementary and alternative medicine : eCAM, 2018, 卷号: 2018, 页码: 6493630
作者:  Zhang, Miao;  Guo, Lin;  Lin, Long-Fei;  Qu, Chang-Hai;  Yin, Xing-Bin
收藏  |  浏览/下载：20/0  |  提交时间：2019/01/08
How Well Can Implicit Solvent Simulations Explore Folding Pathways? A Quantitative Analysis of alpha-Helix Bundle Proteins 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 12, 页码: 6177-6190
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载：11/0  |  提交时间：2019/01/08
Quantitative proteomic Analysis Reveals up-regulation of caveolin-1 in FOXP3-overexpressed human gastric cancer cells 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7
作者:  Pan, Duyi;  Gao, Jing;  Zeng, Xiaoqing;  Ma, Guifen;  Li, Na
收藏  |  浏览/下载：26/0  |  提交时间：2019/01/08
Computational Models for Predicting Interactions with Membrane Transporters 期刊论文
CURRENT MEDICINAL CHEMISTRY, 2013, 卷号: 20, 期号: 16, 页码: 2118-2136
作者:  Xu, Y.;  Shen, Q.;  Liu, X.;  Lu, J.;  Li, S.
收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08

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