Interactions of Ligands with Class-II HMG-CoA Reductase of Streptococcus Pneumoniae by Homology Modeling and Molecular Dynamic Simulations

Qing Y. Zhang; Kai Liu; Guzhen Cui; Xiang Y. Lin; Jian Wan; De I. Liu

doi:10.1166/jctn.2007.2423

Interactions of Ligands with Class-II HMG-CoA Reductase of Streptococcus Pneumoniae by Homology Modeling and Molecular Dynamic Simulations

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2007.2423 ◽

2007 ◽

Vol 4 (7) ◽

pp. 1351-1357

Author(s):

Qing Y. Zhang ◽

Kai Liu ◽

Guzhen Cui ◽

Xiang Y. Lin ◽

Jian Wan ◽

...

Keyword(s):

Streptococcus Pneumoniae ◽

Homology Modeling ◽

Molecular Dynamic ◽

Class Ii ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Hmg Coa Reductase ◽

Coa Reductase

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Interactions of Aryloxyphenoxypropionic Acids with Sensitive and Resistant Acetyl-Coenzyme A Carboxylase by Homology Modeling and Molecular Dynamic Simulations

Journal of Chemical Information and Modeling ◽

10.1021/ci0600307 ◽

2006 ◽

Vol 46 (4) ◽

pp. 1819-1826 ◽

Cited By ~ 22

Author(s):

Xiao-Lei Zhu ◽

Li Zhang ◽

Qiong Chen ◽

Jian Wan ◽

Guang-Fu Yang

Keyword(s):

Homology Modeling ◽

Molecular Dynamic ◽

Coenzyme A ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Acetyl Coenzyme A ◽

Acetyl Coenzyme ◽

Acetyl Coenzyme A Carboxylase

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Homology Modeling, Docking Studies and Molecular Dynamic Simulations Using Graphical Processing Unit Architecture to Probe the Type-11 Phosphodiesterase Catalytic Site: A Computational Approach for the Rational Design of Selective Inhibitors

Chemical Biology & Drug Design ◽

10.1111/cbdd.12193 ◽

2013 ◽

Vol 82 (6) ◽

pp. 718-731 ◽

Cited By ~ 23

Author(s):

Elena Cichero ◽

Pasqualina D'Ursi ◽

Marco Moscatelli ◽

Olga Bruno ◽

Alessandro Orro ◽

...

Keyword(s):

Homology Modeling ◽

Molecular Dynamic ◽

Rational Design ◽

Docking Studies ◽

Computational Approach ◽

Molecular Dynamic Simulations ◽

Processing Unit ◽

Selective Inhibitors ◽

Dynamic Simulations ◽

Graphical Processing

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Homology Modeling and Activity Analysis of the HMG-CoA Reductase from Streptococcus Pneumoniae

2008 2nd International Conference on Bioinformatics and Biomedical Engineering ◽

10.1109/icbbe.2008.55 ◽

2008 ◽

Author(s):

Guzhen Cui ◽

Deli Liu ◽

Qingye Zhang ◽

Yali Ben ◽

Yanhong Wei ◽

...

Keyword(s):

Streptococcus Pneumoniae ◽

Homology Modeling ◽

Activity Analysis ◽

Hmg Coa Reductase ◽

Coa Reductase

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Homology Modeling, Molecular Dynamic Simulations and Docking Studies of a New Cold Active Extracellular Lipase, EnL A from Emericella nidulans NFCCI 3643

Trends in Bioinformatics ◽

10.3923/tb.2015.37.51 ◽

2015 ◽

Vol 8 (2) ◽

pp. 37-51 ◽

Cited By ~ 2

Author(s):

J. Naveena Lavanya La ◽

Suseela Lanka ◽

Venkateswar Rao Tallur ◽

V. Ganesh

Keyword(s):

Homology Modeling ◽

Molecular Dynamic ◽

Docking Studies ◽

Molecular Dynamic Simulations ◽

Extracellular Lipase ◽

Dynamic Simulations ◽

Emericella Nidulans ◽

Cold Active

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Antimicrobial and Cell-Penetrating Peptides: Structure, Assembly and Mechanisms of Membrane Lysis via Atomistic and Coarse-Grained Molecular Dynamic Simulations

Protein and Peptide Letters ◽

10.2174/0929866511009011313 ◽

2010 ◽

Vol 17 (11) ◽

pp. 1313-1327 ◽

Cited By ~ 30

Author(s):

Peter J. Bond ◽

Syma Khalid

Keyword(s):

Molecular Dynamic ◽

Cell Penetrating Peptides ◽

Coarse Grained ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Membrane Lysis ◽

Cell Penetrating ◽

Structure Assembly

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Ranking the Efficiency of Gas Hydrate Anti-agglomerants through Molecular Dynamic Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c08969 ◽

2021 ◽

Vol 125 (5) ◽

pp. 1487-1502

Author(s):

Stephan Mohr ◽

Felix Hoevelmann ◽

Jonathan Wylde ◽

Natascha Schelero ◽

Juan Sarria ◽

...

Keyword(s):

Molecular Dynamic ◽

Gas Hydrate ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations

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Inelastic contact behaviors of nanosized single-asperity and multi-asperity on α-Fe surface: Molecular dynamic simulations

International Journal of Mechanical Sciences ◽

10.1016/j.ijmecsci.2021.106569 ◽

2021 ◽

pp. 106569

Author(s):

Wenzhen Xie ◽

Chao Liu ◽

Dongxiang Jiang ◽

Jianfeng Jin

Keyword(s):

Molecular Dynamic ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Single Asperity

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Glycerol revisited molecular dynamic simulations of structural, dynamical, and thermodynamic properties

Journal of the Iranian Chemical Society ◽

10.1007/s13738-016-0952-5 ◽

2016 ◽

Vol 14 (1) ◽

pp. 1-7 ◽

Cited By ~ 4

Author(s):

Monireh B. Moghaddam ◽

Elaheh K. Goharshadi ◽

Fatemeh Moosavi

Keyword(s):

Thermodynamic Properties ◽

Molecular Dynamic ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations

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Construction of a coal char model and its combustion and gasification characteristics: Molecular dynamic simulations based on ReaxFF

Fuel ◽

10.1016/j.fuel.2021.120972 ◽

2021 ◽

Vol 300 ◽

pp. 120972

Author(s):

Dikun Hong ◽

Liang Liu ◽

Chunbo Wang ◽

Ting Si ◽

Xin Guo

Keyword(s):

Molecular Dynamic ◽

Coal Char ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations

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Effect of interlayer cations on montmorillonite swelling: Comparison between molecular dynamic simulations and experiments

Applied Clay Science ◽

10.1016/j.clay.2021.106034 ◽

2021 ◽

Vol 204 ◽

pp. 106034

Author(s):

Kenji Yotsuji ◽

Yukio Tachi ◽

Hiroshi Sakuma ◽

Katsuyuki Kawamura

Keyword(s):

Molecular Dynamic ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Interlayer Cations

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