Diffusion of Isobutane in Silicalite: A Neutron Spin–Echo and Molecular Dynamics Simulation Study

Simulation Study ◽

Spin Echo ◽

Dynamics Simulation ◽

Neutron Spin ◽

Neutron Spin Echo

Collective Mesoscale Dynamics of Liquid 1-Dodecanol Studied by Neutron Spin-Echo Spectroscopy with Isotopic Substitution and Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.8b10299 ◽

2018 ◽

Vol 123 (1) ◽

pp. 239-246 ◽

Cited By ~ 5

Author(s):

Tsuyoshi Yamaguchi ◽

Antonio Faraone ◽

Michihiro Nagao

Keyword(s):

Molecular Dynamics ◽

Spin Echo ◽

Dynamics Simulation ◽

Neutron Spin ◽

Isotopic Substitution ◽

Neutron Spin Echo ◽

Mesoscale Dynamics

Collective dynamics of a photosynthetic protein probed by neutron spin-echo spectroscopy and molecular dynamics simulation

Physica B Condensed Matter ◽

10.1016/s0921-4526(99)01815-3 ◽

2000 ◽

Vol 276-278 ◽

pp. 514-515 ◽

Cited By ~ 10

Author(s):

S Dellerue ◽

A Petrescu ◽

J.C Smith ◽

S Longeville ◽

M.-C Bellissent-Funel

Keyword(s):

Molecular Dynamics ◽

Spin Echo ◽

Dynamics Simulation ◽

Neutron Spin ◽

Collective Dynamics ◽

Neutron Spin Echo

Functional Domain Motions in Proteins on the ∼1–100 ns Timescale: Comparison of Neutron Spin-Echo Spectroscopy of Phosphoglycerate Kinase with Molecular-Dynamics Simulation

Biophysical Journal ◽

10.1016/j.bpj.2012.01.002 ◽

2012 ◽

Vol 102 (5) ◽

pp. 1108-1117 ◽

Cited By ~ 28

Author(s):

N. Smolin ◽

R. Biehl ◽

G.R. Kneller ◽

D. Richter ◽

J.C. Smith

Keyword(s):

Molecular Dynamics ◽

Spin Echo ◽

Phosphoglycerate Kinase ◽

Dynamics Simulation ◽

Neutron Spin ◽

Functional Domain ◽

Neutron Spin Echo ◽

Domain Motions

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 ◽

Simulation Study ◽

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 ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

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 ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

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 ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽

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 ◽

Simulation Study ◽

Dynamics Simulation ◽

Endothelial Glycocalyx ◽

Complex Structures

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 ◽

Electric Field ◽

Simulation Study ◽

Strong Electric Field ◽

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 ◽

Simulation Study ◽

Dynamics Simulation ◽

Iron Coordination