Comparative analysis of binding sites of human meprins with hydroxamic acid derivative by molecular dynamics simulation study

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2013.848173 ◽

2013 ◽

Vol 32 (12) ◽

pp. 1969-1978 ◽

Author(s):

Ankur Chaudhuri ◽

Indrani Sarkar ◽

Sibani Chakraborty

Keyword(s):

Molecular Dynamics ◽

Comparative Analysis ◽

Molecular Dynamics Simulation ◽

Acid Derivative ◽

Simulation Study ◽

Binding Sites ◽

Hydroxamic Acid ◽

Dynamics Simulation

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A comparative analysis of binding sites between human PKD1 and PKC1 based on homology modelling, molecular dynamics simulation and docking studies

Molecular Simulation ◽

10.1080/08927022.2011.631010 ◽

2012 ◽

Vol 38 (4) ◽

pp. 309-314 ◽

Author(s):

Yong-Shan Zhao ◽

Kun Wang ◽

Hong Zeng ◽

Hong-Xing Zhang ◽

Jing-Hai Zhang

Keyword(s):

Molecular Dynamics ◽

Comparative Analysis ◽

Molecular Dynamics Simulation ◽

Binding Sites ◽

Homology Modelling ◽

Docking Studies ◽

Dynamics Simulation

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Insights from Analysis of Binding Sites of Human Meprins: Screening of Inhibitors by Molecular Dynamics Simulation Study

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207319666160215161731 ◽

2016 ◽

Vol 19 (3) ◽

pp. 246-258

Author(s):

Ankur Chaudhuri ◽

Asim K. Bera ◽

Indrani Sarkar ◽

Sibani Chakraborty

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Binding Sites ◽

Dynamics Simulation

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Metal binding sites of human H-chain ferritin and iron transport mechanism to the ferroxidase sites: A molecular dynamics simulation study

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.24251 ◽

2013 ◽

Vol 81 (6) ◽

pp. 1042-1050 ◽

Author(s):

Rozita Laghaei ◽

Deborah G. Evans ◽

Rob D. Coalson

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Metal Binding ◽

Binding Sites ◽

Transport Mechanism ◽

Iron Transport ◽

Dynamics Simulation ◽

Metal Binding Sites

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A comparative analysis of binding sites between mouse CYP2C38 and CYP2C39 based on homology modeling, molecular dynamics simulation and docking studies

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics ◽

10.1016/j.bbapap.2009.03.021 ◽

2009 ◽

Vol 1794 (7) ◽

pp. 1066-1072 ◽

Author(s):

Xuan-Yu Meng ◽

Qing-Chuan Zheng ◽

Hong-Xing Zhang

Keyword(s):

Molecular Dynamics ◽

Comparative Analysis ◽

Molecular Dynamics Simulation ◽

Homology Modeling ◽

Binding Sites ◽

Docking Studies ◽

Dynamics Simulation

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Molecular dynamics simulation study of the response of polyurea to a shock

10.26226/morressier.5f5f8e69aa777f8ba5bd5f91 ◽

2020 ◽

Author(s):

Manva Manva

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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Salient Structural Features of Human Lemur Tyrosine Kinase 3 (LMTK3) Domain from Molecular Dynamics Simulation Study

Current Biotechnology ◽

10.2174/2213529404666180125161856 ◽

2018 ◽

Vol 7 (4) ◽

pp. 309-316

Author(s):

Himakshi Sarma ◽

Venkata Satish Kumar Mattaparthi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Dynamics Simulation

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Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2

Chemical Physics Letters ◽

10.1016/j.cplett.2005.05.035 ◽

2005 ◽

Vol 410 (1-3) ◽

pp. 54-58 ◽

Author(s):

Aiko Hayashi ◽

Motoyuki Shiga ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

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Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: A molecular dynamics simulation study

Physical Review E ◽

10.1103/physreve.70.011804 ◽

2004 ◽

Vol 70 (1) ◽

Author(s):

Dmitry Bedrov ◽

Grant D. Smith ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽

Dynamics Simulation

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Regimes of Flow over Complex Structures of Endothelial Glycocalyx: A Molecular Dynamics Simulation Study

Scientific Reports ◽

10.1038/s41598-018-24041-7 ◽

2018 ◽

Vol 8 (1) ◽

Author(s):

Xi Zhuo Jiang ◽

Muye Feng ◽

Yiannis Ventikos ◽

Kai H. Luo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Endothelial Glycocalyx ◽

Complex Structures

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Molecular dynamics simulation study of the effect of a strong electric field on the structure of a poly(oxyethylene) chain in explicit solvents

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116622 ◽

2021 ◽

pp. 116622

Author(s):

Šárka Dědičová ◽

Jan Dočkal ◽

Filip Moučka ◽

Jan Jirsák

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Electric Field ◽

Simulation Study ◽

Strong Electric Field ◽

Dynamics Simulation

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