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CORC

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Deciphering molecular mechanism behind conformational change of the Sao Paolo metallo-beta-lactamase 1 by using enhanced sampling 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 页码: 12
作者:  Chen, Jianzhong;  Wang, Jinan;  Pang, Laixue;  Wang, Wei;  Zhao, Juan
收藏  |  浏览/下载：49/0  |  提交时间：2020/07/01
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：17/0  |  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：13/0  |  提交时间：2020/07/01
DASHMM Accelerated Adaptive Fast Multipole Poisson-Boltzmann Solver on Distributed Memory Architecture 期刊论文
COMMUNICATIONS IN COMPUTATIONAL PHYSICS, 2019, 卷号: 25, 期号: 4, 页码: 1235-1258
作者:  Zhang, Bo;  DeBuhr, Jackson;  Niedzielski, Drake;  Mayolo, Silvio;  Lu, Benzhuo
收藏  |  浏览/下载：26/0  |  提交时间：2019/03/05
Theoretical insights into excited-state intramolecular and multiple intermolecular hydrogen bonds in 2-(2-Hydroxy-phenyl)-4(3H)-quinazolinone 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 207, 页码: 61-67
作者:  Liu, Li-Yan;  Wu, Shuai-Shuai;  Yu, Jie;  Chai, Shuo;  Cong, Shu-Lin
收藏  |  浏览/下载：48/0  |  提交时间：2019/06/20
Theoretical insights into excited-state intramolecular and multiple intermolecular hydrogen bonds in 2-(2-hydroxy-phenyl)-4(3h)-quinazolinone 期刊论文
Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 207, 页码: 61-67
作者:  Liu, Li-Yan;  Wu, Shuai-Shuai;  Yu, Jie;  Chai, Shuo;  Cong, Shu-Lin
收藏  |  浏览/下载：104/0  |  提交时间：2019/05/08
Molecular Dynamics Simulation of Effect of Carbon Space Lengths on Antifouling Properties of Hydroxyalkyl Acrylamides 期刊论文
Langmuir, 2019
作者:  Liu, Y.a,e;  Zhang, Y.e;  Ren, B.e;  Sun, Y.b;  He, Y.c
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/21
A novel photosensitive dual-sensor for simultaneous detection of nucleic acids and small chemical molecules 期刊论文
Biosensors and Bioelectronics, 2019, 卷号: Vol.127, 页码: 108-117
作者:  Jing Wang;  Xun Cui;  Jingyu Zhu;  Luxi Tan;  Lichun Dong
收藏  |  浏览/下载：50/0  |  提交时间：2019/02/25
Molecular Dynamics Simulation of the Effect of Carbon Space Lengths on the Antifouling Properties of Hydroxyalkyl Acrylamides 期刊论文
Langmuir, 2019, 卷号: Vol.35 No.9, 页码: 3576-3584
作者:  Yonglan Liu;  Yanxian Zhang;  Baiping Ren;  Yan Sun;  Yi He
收藏  |  浏览/下载：12/0  |  提交时间：2019/12/13
Micromixers and their applications in kinetic analysis of biochemical reactions 期刊论文
Talanta, 2019, 页码: 120136
作者:  Chao Liu;  Ying Li;  Bi-Feng Liu
收藏  |  浏览/下载：115/0  |  提交时间：2019/12/13

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