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

Structure And Dynamics ◽

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 ◽

Structure And Dynamics ◽

Dynamics Simulations ◽

Partially Folded States ◽

Protein Structure And Dynamics

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 ◽

Ion Mobility ◽

Ion Mobility Mass Spectrometry ◽

Structure And Dynamics ◽

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 ◽

Structure And Dynamics ◽

Classical Molecular Dynamics ◽

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 ◽

Chloride Ion ◽

Time Resolved ◽

Structure And Dynamics ◽

Dynamics Simulations ◽

Ion Pumping

Membrane potential and dynamics in a ternary lipid mixture: insights from molecular dynamics simulations

Physical Chemistry Chemical Physics ◽

10.1039/c8cp01629a ◽

2018 ◽

Vol 20 (23) ◽

pp. 15841-15851 ◽

Cited By ~ 1

Author(s):

Xubo Lin ◽

Vinay Nair ◽

Yong Zhou ◽

Alemayehu A. Gorfe

Keyword(s):

Molecular Dynamics ◽

Membrane Potential ◽

Transmembrane Potential ◽

Lipid Mixture ◽

Structure And Dynamics ◽

Head Groups ◽

Acyl Chains ◽

Transmembrane potential modulates the structure and dynamics of lipid head-groups and acyl chains.

Structure and dynamics of gold nanoparticles decorated with chitosan–gentamicin conjugates: ReaxFF molecular dynamics simulations to disclose drug delivery

Physical Chemistry Chemical Physics ◽

10.1039/c9cp02357g ◽

2019 ◽

Vol 21 (24) ◽

pp. 13099-13108 ◽

Cited By ~ 12

Author(s):

Susanna Monti ◽

Jiya Jose ◽

Athira Sahajan ◽

Nandakumar Kalarikkal ◽

Sabu Thomas

Keyword(s):

Drug Delivery ◽

Molecular Dynamics ◽

Gold Nanoparticles ◽

Atomic Scale ◽

Functionalized Gold Nanoparticles ◽

Structure And Dynamics ◽

Antibiotic Drug ◽

Functionalized gold nanoparticles for antibiotic drug delivery: from the nanoscale to the atomic scale.

Structure and Dynamics of Water at the Water–Air Interface Using First-Principles Molecular Dynamics Simulations. II. NonLocal vs Empirical van der Waals Corrections

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00253 ◽

2019 ◽

Vol 15 (6) ◽

pp. 3836-3843 ◽

Cited By ~ 3

Author(s):

Mayank Dodia ◽

Tatsuhiko Ohto ◽

Sho Imoto ◽

Yuki Nagata

Keyword(s):

Molecular Dynamics ◽

First Principles Molecular Dynamics

First Principles ◽

Van Der Waals ◽

Structure And Dynamics ◽

Air Interface ◽

Dynamics Simulations ◽

Microscopic Structure and Dynamics of Molecular Liquids and Electrolyte Solutions Confined by Carbon Nanotubes: Molecular Dynamics Simulations

Carbon Nanotubes - Synthesis, Characterization, Applications ◽

10.5772/20943 ◽

2011 ◽

Author(s):

Oleg N. ◽

Vitaly V. ◽

Oleg V.

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Electrolyte Solutions ◽

Microscopic Structure ◽

Molecular Liquids ◽

Structure And Dynamics ◽

The pore solution of cement-based materials: structure and dynamics of water and ions from molecular simulations

Physical Chemistry Chemical Physics ◽

10.1039/c9cp01577a ◽

2019 ◽

Vol 21 (21) ◽

pp. 11111-11121 ◽

Cited By ~ 7

Author(s):

Tulio Honorio ◽

Farid Benboudjema ◽

Thierry Bore ◽

Mehdi Ferhat ◽

Eric Vourc'h

Keyword(s):

Molecular Dynamics ◽

Pore Solution ◽

Molecular Simulations ◽

Structure And Dynamics ◽

Cement Based Materials ◽

The structure and dynamics of water and ions present in pore solutions are studied using molecular dynamics simulations.

Impact of K16A and K28A mutation on the structure and dynamics of amyloid-β42 peptide in Alzheimer’s disease: key insights from molecular dynamics simulations

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2019.1586587 ◽

2019 ◽

Vol 38 (3) ◽

pp. 708-721 ◽

Cited By ~ 5

Author(s):

Suniba Shuaib ◽

Rajneet Kaur Saini ◽

Deepti Goyal ◽

Bhupesh Goyal

Keyword(s):

Alzheimer’S Disease ◽

Alzheimer's Disease ◽

Molecular Dynamics ◽

Structure And Dynamics ◽