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CORC

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Polymeric membrane potentiometric antibiotic sensors using computer-aided screening of supramolecular macrocyclic carriers 期刊论文
ANALYST, 2024, 页码: 8
作者:  Liu, Aohua;  Liu, Zhe;  Liang, Rongning;  Qin, Wei
收藏  |  浏览/下载：0/0  |  提交时间：2024/05/07
Computer-aided blended extractant design and screening for co-extracting phenolic, polycyclic aromatic hydrocarbons and nitrogen heterocyclic compounds pollutants from coal chemical wastewater 期刊论文
JOURNAL OF CLEANER PRODUCTION, 2020, 卷号: 277, 页码: 13
作者:  Xu, Ran;  Zhao, Yue-Hong;  Han, Qing-Zhen;  Ning, Peng-Ge;  Cao, Hong-Bin
收藏  |  浏览/下载：61/0  |  提交时间：2021/03/29
SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020, 卷号: 34, 期号: 5, 页码: 589-600
作者:  Sun, Zhaoxi;  He, Qiaole;  Li, Xiao;  Zhu, Zhengdan
收藏  |  浏览/下载：28/0  |  提交时间：2020/07/01
Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8
作者:  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian;  Cai, Tingting;  Zhu, Weiliang
收藏  |  浏览/下载：24/0  |  提交时间：2020/07/01
Multiscale computational prediction of beta-sheet peptide self-assembly morphology 期刊论文
MOLECULAR SIMULATION, 2020, 页码: 暂无
作者:  Deng, Li;  Wang, Yanting
收藏  |  浏览/下载：3/0  |  提交时间：2020/06/16
Rational Design, synthesis and biological evaluation of novel triazole derivatives as potent and selective PRMT5 inhibitors with antitumor activity 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 卷号: 33, 期号: 8, 页码: 775-785
作者:  Zhu, Kongkai;  Shao, Jingwei;  Tao, Hongrui;  Yan, Xue;  Luo, Cheng
收藏  |  浏览/下载：11/0  |  提交时间：2020/07/01
Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 卷号: 33, 期号: 5, 页码: 521-530
作者:  Jiang, Cheng-Shi;  Ge, Yong-Xi;  Cheng, Zhi-Qiang;  Song, Jia-Li;  Wang, Yin-Yin
收藏  |  浏览/下载：11/0  |  提交时间：2020/07/01
Virtual Screening for Type ⅡB Inhibitors of B-RafV600E Kinase. 期刊论文
Current computer-aided drug design, 2019
作者:  Qiu Kai-Xiong;  Zhang Wen;  Yu Fang;  Li Wei;  Sun Zhong-Wen
收藏  |  浏览/下载：31/0  |  提交时间：2019/12/04
OptCAMD: An optimization-based framework and tool for molecular and mixture product design 期刊论文
COMPUTERS & CHEMICAL ENGINEERING, 2019, 卷号: 124, 页码: 285-301
作者:  Liu, Qilei;  Zhang, Lei;  Liu, Linlin;  Du, Jian;  Tula, Anjan Kumar
收藏  |  浏览/下载：10/0  |  提交时间：2019/12/02
Computer-aided reaction solvent design based on transition state theory and COSMO-SAC 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2019, 卷号: 202, 页码: 300-317
作者:  Liu, Qilei;  Zhang, Lei;  Liu, Linlin;  Du, Jian;  Meng, Qingwei
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/02

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