Understanding the structural changes that take place in a polypyrrole film during its oxi-reduction process: a molecular dynamics simulation study

Mapping Intimacies ◽

10.1117/12.607924 ◽

2005 ◽

Author(s):

J. J. Lopez Cascales ◽

T. F. Otero

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Structural Changes ◽

Reduction Process ◽

Dynamics Simulation ◽

Polypyrrole Film

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Temperature-induced structural changes of apo-lactoferrin and their functional implications: a molecular dynamics simulation study

Molecular Simulation ◽

10.1080/08927022.2018.1562187 ◽

2018 ◽

Vol 45 (7) ◽

pp. 533-548 ◽

Cited By ~ 1

Author(s):

Carol Nhan ◽

Colin J. Rix ◽

Bee K. May ◽

Andrew Hung

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Structural Changes ◽

Dynamics Simulation ◽

Functional Implications

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pH-induced structural changes of apo-lactoferrin and implications for its function: a molecular dynamics simulation study

Molecular Simulation ◽

10.1080/08927022.2018.1535178 ◽

2018 ◽

Vol 45 (2) ◽

pp. 87-103 ◽

Cited By ~ 1

Author(s):

Carol Nhan ◽

Darryl M. Small ◽

Bee K. May ◽

Andrew Hung

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Structural Changes ◽

Dynamics Simulation

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Tryptophan Oxidation in the UQCRC1 Subunit of Mitochondrial Complex III (Ubiquinol-Cytochrome C Reductase) in a Mouse Model of Myodegeneration Causes Large Structural Changes in the Complex: A Molecular Dynamics Simulation Study

Scientific Reports ◽

10.1038/s41598-019-47018-6 ◽

2019 ◽

Vol 9 (1) ◽

Cited By ~ 1

Author(s):

Sruthi Unni ◽

S. Thiyagarajan ◽

M. M. Srinivas Bharath ◽

B. Padmanabhan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Cytochrome C ◽

Mouse Model ◽

Simulation Study ◽

Structural Changes ◽

Complex Iii ◽

Dynamics Simulation ◽

Mitochondrial Complex ◽

Tryptophan Oxidation

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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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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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