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CORC

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Increasing the Sampling Efficiency of Protein Conformational Change by Combining a Modified Replica Exchange Molecular Dynamics and Normal Mode Analysis 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 1, 页码: 13-28
作者:  Peng, Cheng;  Wang, Jinan;  Shi, Yulong;  Xu, Zhijian;  Zhu, Weiliang
收藏  |  浏览/下载：22/0  |  提交时间：2021/05/24
A new method for the synthesis of chalcone derivatives promoted by PPh3/I(2)under non-alkaline conditions 期刊论文
SYNTHETIC COMMUNICATIONS, 2020, 页码: 10
作者:  Xue, Kangsheng;  Sun, Guoxiang;  Zhang, Yanzhi;  Chen, Xubing;  Zhou, Yang
收藏  |  浏览/下载：22/0  |  提交时间：2020/12/24
Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation 期刊论文
BIOPHYSICAL JOURNAL, 2020, 卷号: 118, 期号: 5, 页码: 1009-1018
作者:  Wang, Jinan;  Peng, Cheng;  Yu, Yuqu;  Chen, Zhaoqiang;  Xu, Zhijian
收藏  |  浏览/下载：42/0  |  提交时间：2020/07/01
Metal-free quinolylation of the primary amino groups of amino acid derivatives and peptides with dihydrooxazolo[3,2-a]quinoliniums 期刊论文
GREEN CHEMISTRY, 2019, 卷号: 21, 期号: 15, 页码: 4231-4237
作者:  Liu, Peng;  Li, Bo;  Xi, Mengyu;  Chen, Zhaoqiang;  Sun, Haiguo
收藏  |  浏览/下载：9/0  |  提交时间：2020/07/01
Selective enhanced sampling in dihedral energy facilitates overcoming the dihedral energy increase in protein folding and accelerates the searching for protein native structure 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 20, 页码: 10423-10435
作者:  Shao, Qiang;  Yang, Lijiang;  Zhu, Weiliang
收藏  |  浏览/下载：12/0  |  提交时间：2020/07/01
Design, synthesis, and characterization of Schiffbase bond-linked pH-responsive doxorubicin prodrug based on functionalized mPEG-PCL for targeted cancer therapy 期刊论文
Polymers, 2018, 卷号: 10, 期号: 10
作者:  Zhai, Yinglei;  Zhou, Xing;  Zhang, Zhiqiang;  Zhang, Lei;  Wang, Dianyu
收藏  |  浏览/下载：34/0  |  提交时间：2019/01/08
Effective Conformational Sampling in Explicit Solvent with Gaussian Biased Accelerated Molecular Dynamics 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 9, 页码: 4240-4252
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载：6/0  |  提交时间：2019/01/08
A facile and efficient method for the synthesis of N-substituted isoindolin-1-one derivatives under Pd(OAc)(2)/HCOOH system 期刊论文
TETRAHEDRON LETTERS, 2017, 卷号: 58, 期号: 23, 页码: 2232-2235
作者:  Zhou, Yang;  Chen, Ping;  Lv, Xue;  Niu, Junxing;  Wang, Yingying
收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08
Determining Protein Folding Pathway and Associated Energetics through Partitioned Integrated-Tempering-Sampling Simulation 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 3, 页码: 1229-1243
作者:  Shao, Qiang;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载：10/0  |  提交时间：2019/01/08
Enhanced conformational sampling technique provides an energy landscape view of large-scale protein conformational transitions 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 42, 页码: 29170-29182
作者:  Shao, Qiang
收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08

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