中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [3]
大连化学物理研究所 [2]
采集方式
OAI收割 [5]
内容类型
期刊论文 [5]
发表日期
2019 [2]
2018 [1]
2010 [2]
学科主题
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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
OAI收割
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:33/0
  |  
提交时间:2020/07/01
Sao paolo metallo-beta-lactamase-1
REMD simulations
normal mode analysis
principal component analysis
drug resistance of antibiotics
CHARMM-GUI DEER facilitator for spin-pair distance distribution calculations and preparation of restrained-ensemble molecular dynamics simulations
期刊论文
OAI收割
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:34/0
  |  
提交时间:2020/07/01
MDDS simulation
reMD simulation
spin label
EPR
DEER
CHARMM-GUI
Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV-1 protease by enhanced conformational sampling
期刊论文
OAI收割
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 期号: 12, 页码: 1294-1305
作者:
Chen, Jianzhong
;
Peng, Cheng
;
Wang, Jinan
;
Zhu, Weiliang
  |  
收藏
  |  
浏览/下载:74/0
  |  
提交时间:2019/01/08
allosteric inhibitor
HIV-1 protease
MM-GBSA
normal mode analysis
REMD
Discriminating early stage A beta 42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study
期刊论文
OAI收割
proceedings of the national academy of sciences of the united states of america, 2010, 卷号: 107, 期号: 36, 页码: 15687-15692
作者:
Zhuang, Wei
;
Sgourakis, Nikolaos G.
;
Li, Zhenyu
;
Garcia, Angel E.
;
Mukamel, Shaul
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2015/11/12
amyloid
REMD
nonlinear spectroscopy
Discriminating early stage A beta 42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study
期刊论文
OAI收割
proceedings of the national academy of sciences of the united states of america, 2010, 卷号: 107, 期号: 36, 页码: 15687-15692
作者:
Zhuang, Wei
;
Sgourakis, Nikolaos G.
;
Li, Zhenyu
;
Garcia, Angel E.
;
Mukamel, Shaul
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2015/11/12
amyloid
REMD
nonlinear spectroscopy