Structure and dynamics of liquid linear and cyclic alkanes: A molecular dynamics study

Faculty Opinions recommendation of Molecular dynamics simulations of the native and partially folded states of ubiquitin: influence of methanol cosolvent, pH, and temperature on the protein structure and dynamics.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1088149.542736 ◽

2007 ◽

Author(s):

Bernard Montgomery Pettitt

Keyword(s):

Molecular Dynamics ◽

Protein Structure ◽

Molecular Dynamics Simulations ◽

Structure And Dynamics ◽

Dynamics Simulations ◽

Partially Folded States ◽

Protein Structure And Dynamics

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Structure and Dynamics of Multiple Cationic Vectors−siRNA Complexation by All-Atomic Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp911913c ◽

2010 ◽

Vol 114 (28) ◽

pp. 9231-9237 ◽

Cited By ~ 37

Author(s):

Defang Ouyang ◽

Hong Zhang ◽

Harendra S. Parekh ◽

Sean C. Smith

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure And Dynamics ◽

Dynamics Simulations

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A Mixed Quantum-Classical Molecular Dynamics Study of the Hydroxyl Stretch in Methanol/Carbon Tetrachloride Mixtures: Equilibrium Hydrogen-Bond Structure and Dynamics at the Ground State and the Infrared Absorption Spectrum

The Journal of Physical Chemistry B ◽

10.1021/jp204245z ◽

2011 ◽

Vol 115 (29) ◽

pp. 9184-9194 ◽

Cited By ~ 19

Author(s):

Kijeong Kwac ◽

Eitan Geva

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Absorption Spectrum ◽

Carbon Tetrachloride ◽

Infrared Absorption ◽

Ground State ◽

Infrared Absorption Spectrum ◽

Structure And Dynamics ◽

Classical Molecular Dynamics

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Elucidation of Structure and Dynamics in Solid Octafluoronaphthalene from Combined NMR, Diffraction, And Molecular Dynamics Studies

Journal of the American Chemical Society ◽

10.1021/ja910526z ◽

2010 ◽

Vol 132 (14) ◽

pp. 5179-5185 ◽

Cited By ~ 18

Author(s):

Andrew J. Ilott ◽

Sebastian Palucha ◽

Andrei S. Batsanov ◽

Mark R. Wilson ◽

Paul Hodgkinson

Keyword(s):

Molecular Dynamics ◽

Structure And Dynamics

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Structure and Dynamics of a Protein–Surfactant Assembly Studied by Ion-Mobility Mass Spectrometry and Molecular Dynamics Simulations

Analytical Chemistry ◽

10.1021/acs.analchem.5b02172 ◽

2015 ◽

Vol 87 (17) ◽

pp. 8970-8976 ◽

Cited By ~ 8

Author(s):

Antoni J. Borysik

Keyword(s):

Mass Spectrometry ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Ion Mobility ◽

Ion Mobility Mass Spectrometry ◽

Structure And Dynamics ◽

Dynamics Simulations

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Structure and dynamics of B2O3 melts and glasses: From ab initio to classical molecular dynamics simulations

Computational Materials Science ◽

10.1016/j.commatsci.2018.12.001 ◽

2019 ◽

Vol 159 ◽

pp. 73-85 ◽

Cited By ~ 6

Author(s):

C. Scherer ◽

F. Schmid ◽

M. Letz ◽

J. Horbach

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Structure And Dynamics ◽

Classical Molecular Dynamics ◽

Dynamics Simulations

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Corrigendum to “A molecular dynamics framework to explore the structure and dynamics of layered double hydroxides” [Appl. Clay Sci., 163, 164-177]

Applied Clay Science ◽

10.1016/j.clay.2018.09.024 ◽

2018 ◽

Vol 166 ◽

pp. 339

Author(s):

Germán Pérez-Sánchez ◽

Tiago L.P. Galvão ◽

João Tedim ◽

José R.B. Gomes

Keyword(s):

Molecular Dynamics ◽

Layered Double Hydroxides ◽

Structure And Dynamics ◽

Double Hydroxides

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Structure and dynamics of β-lactoglobulin in complex with dodecyl sulfate and laurate: A molecular dynamics study

Biophysical Chemistry ◽

10.1016/j.bpc.2012.03.009 ◽

2012 ◽

Vol 165-166 ◽

pp. 79-86 ◽

Cited By ~ 30

Author(s):

Martiniano Bello ◽

Gabriel Gutiérrez ◽

Enrique García-Hernández

Keyword(s):

Molecular Dynamics ◽

Structure And Dynamics ◽

Dodecyl Sulfate ◽

Β Lactoglobulin

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Molecular Dynamics Simulation of Cis-Trans N-Methylformamide (NMF) Liquid Mixture. Structure and Dynamics

International Conference of Computational Methods in Sciences and Engineering 2004 (ICCMSE 2004) ◽

10.1201/9780429081385-117 ◽

2019 ◽

pp. 479-482

Author(s):

Ioannis Skarmoutsos ◽

Jannis Samios

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Liquid Mixture ◽

Dynamics Simulation ◽

Structure And Dynamics

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Structure and dynamics of chloride ion pumping rhodopsin revealed by time-resolved SFX and atomic molecular dynamics simulations

Acta Crystallographica Section A Foundations and Advances ◽

10.1107/s0108767319096363 ◽

2019 ◽

Vol 75 (a1) ◽

pp. a373-a373

Author(s):

Haiguang Liu ◽

Ji-Hye Yun ◽

Xuanxuan Li ◽

Jae-Hyun Park ◽

Zeyu Jin ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Chloride Ion ◽

Time Resolved ◽

Structure And Dynamics ◽

Dynamics Simulations ◽

Ion Pumping

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