Title should read as “Homology modeling and molecular dynamics simulation study of β carbonic anhydrase of Ascaris lumbricoides” in Yadav & Khandelwal, (2019)

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Discovery of Natural Compounds as Potential Inhibitors of Human Carbonic Anhydrase II: An Integrated Virtual Screening, Docking, and Molecular Dynamics Simulation Study

OMICS A Journal of Integrative Biology ◽

10.1089/omi.2021.0059 ◽

2021 ◽

Author(s):

Farah Anjum ◽

Fatima Ali ◽

Taj Mohammad ◽

Alaa Shafie ◽

Omar Akhtar ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Virtual Screening ◽

Carbonic Anhydrase ◽

Simulation Study ◽

Natural Compounds ◽

Dynamics Simulation ◽

Carbonic Anhydrase Ii ◽

Human Carbonic Anhydrase ◽

Potential Inhibitors

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2P027 A molecular dynamics simulation study of the origin of the mechanical strength of bovine carbonic anhydrase

Seibutsu Butsuri ◽

10.2142/biophys.44.s116_3 ◽

2004 ◽

Vol 44 (supplement) ◽

pp. S116

Author(s):

Satoko Ohta ◽

Rehana Afrin ◽

Mohammad Taufiq Alam

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carbonic Anhydrase ◽

Mechanical Strength ◽

Simulation Study ◽

Dynamics Simulation ◽

Bovine Carbonic Anhydrase

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Structural and Dynamical Study of Bovine Carbonic Anhydrase II in the Presence of Substrate: An Essential Dynamics and Molecular Dynamics Simulation Study

Biophysical Journal ◽

10.1016/j.bpj.2014.11.1719 ◽

2015 ◽

Vol 108 (2) ◽

pp. 316a

Author(s):

Elham Morad ◽

Bahram Goliaei ◽

Faramarz Mehrnejad

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carbonic Anhydrase ◽

Simulation Study ◽

Dynamics Simulation ◽

Carbonic Anhydrase Ii ◽

Essential Dynamics ◽

Dynamical Study ◽

Bovine Carbonic Anhydrase ◽

Bovine Carbonic Anhydrase Ii

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New Insights into the Binding Mode of Melanin Concentrating Hormone Receptor-1 Antagonists: Homology Modeling and Explicit Membrane Molecular Dynamics Simulation Study

Journal of Chemical Information and Modeling ◽

10.1021/ci100355c ◽

2011 ◽

Vol 51 (3) ◽

pp. 635-646 ◽

Cited By ~ 8

Author(s):

Mohamed A. Helal ◽

Amar G. Chittiboyina ◽

Mitchell A. Avery

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Homology Modeling ◽

Simulation Study ◽

Hormone Receptor ◽

Binding Mode ◽

Dynamics Simulation ◽

Melanin Concentrating Hormone

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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 ◽

Cited By ~ 12

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) ◽

Cited By ~ 11

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) ◽

Cited By ~ 6

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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