Effect of pH on Size and Internal Structure of Poly(propylene imine) Dendrimers: A Molecular Dynamics Simulation Study

Shilpa Gupta; Parbati Biswas

doi:10.1021/acs.jpcb.8b04653

Effect of pH on Size and Internal Structure of Poly(propylene imine) Dendrimers: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.8b04653 ◽

2018 ◽

Vol 122 (39) ◽

pp. 9250-9263 ◽

Cited By ~ 12

Author(s):

Shilpa Gupta ◽

Parbati Biswas

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Internal Structure ◽

Simulation Study ◽

Dynamics Simulation ◽

Effect Of Ph ◽

Poly Propylene

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Internal Structure and Dynamics of the Decamer D(ATGCAGTCAG) 2 In Li + -H 2 O Solution: A molecular Dynamics Simulation Study

Molecular Simulation ◽

10.1080/0892702031000065728 ◽

2003 ◽

Vol 29 (1) ◽

pp. 47-62 ◽

Cited By ~ 3

Author(s):

Raimo A. Lohikoski ◽

Jussi Timonen ◽

Alexander P. Lyubartsev ◽

Aatto Laaksonen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Internal Structure ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics

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Effect of pH on a phospholipid bilayer after phospholipase A2 enzyme action: a molecular dynamics simulation study

Chemistry and Physics of Lipids ◽

10.1016/j.chemphyslip.2007.06.073 ◽

2007 ◽

Vol 149 ◽

pp. S32

Author(s):

Katariina Lähdesmäki ◽

Artturi Koivuniemi ◽

Samuli Ollila ◽

Petri T. Kovanen ◽

Marja T. Hyvönen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Phospholipase A2 ◽

Simulation Study ◽

Phospholipid Bilayer ◽

Dynamics Simulation ◽

Effect Of Ph ◽

Enzyme Action

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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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Effect of urea and trimethyl N-oxide on the structure of parathyroid hormone (1-34): A molecular dynamics simulation study

10.1063/5.0017487 ◽

2020 ◽

Author(s):

Mayank Pal ◽

Dibyendu Bandyopadhyay ◽

Niharendu Choudhury

Keyword(s):

Molecular Dynamics ◽

Parathyroid Hormone ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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