Effect of metal ions on the internal motions of Adenylate Kinase: A Molecular dynamics simulation study

Authorea ◽

10.22541/au.158359643.35625009 ◽

2020 ◽

Author(s):

Marzieh Allahdaneh ◽

Emran Heshmati ◽

Khosrow Khalifeh

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Adenylate Kinase ◽

Dynamics Simulation ◽

Internal Motions ◽

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Release of ADP from the catalytic subunit of protein kinase A: A molecular dynamics simulation study

Protein Science ◽

10.1110/ps.04894605 ◽

2009 ◽

Vol 14 (1) ◽

pp. 159-168 ◽

Author(s):

Benzhuo Lu ◽

Chung F. Wong ◽

J. Andrew McCammon

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Protein Kinase ◽

Protein Kinase A ◽

Simulation Study ◽

Catalytic Subunit ◽

Dynamics Simulation ◽

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Mechanism of β-purothionin antimicrobial peptide inhibition by metal ions: Molecular dynamics simulation study

Biophysical Chemistry ◽

10.1016/j.bpc.2005.12.004 ◽

2006 ◽

Vol 121 (1) ◽

pp. 30-43 ◽

Author(s):

Svetlana Oard ◽

Bijaya Karki

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Antimicrobial Peptide ◽

Simulation Study ◽

Dynamics Simulation ◽

Peptide Inhibition

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Adsorption efficiency of glycyrrhiza glabra root toward heavy metal ions: Experimental and molecular dynamics simulation study on removing copper ions from wastewater

Separation and Purification Technology ◽

10.1016/j.seppur.2021.119215 ◽

2021 ◽

pp. 119215

Author(s):

Sedigheh Pirsalami ◽

Saman Bagherpour ◽

Mohammad Ebrahim Bahrololoom ◽

Masoud Riazi

Keyword(s):

Molecular Dynamics ◽

Heavy Metal ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Heavy Metal Ions ◽

Copper Ions ◽

Glycyrrhiza Glabra ◽

Dynamics Simulation ◽

Adsorption Efficiency

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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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Iron coordination to pyochelin siderophore influences dynamics of FptA receptor from Pseudomonas aeruginosa: a molecular dynamics simulation study

BioMetals ◽

10.1007/s10534-021-00332-x ◽

2021 ◽

Author(s):

Sana Manzoor ◽

Ayaz Ahmed ◽

Syed Tarique Moin

Keyword(s):

Molecular Dynamics ◽

Pseudomonas Aeruginosa ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Iron Coordination

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