Discrete Molecular Dynamics and NMR Line Shape Effects. Intramolecular Exchange

Discrete Molecular Dynamics and NMR Line Shape Effects. General Exchange

Classical and Quantum Molecular Dynamics in NMR Spectra ◽

10.1007/978-3-319-90781-9_6 ◽

2018 ◽

pp. 249-303

Author(s):

Sławomir Szymański ◽

Piotr Bernatowicz

Keyword(s):

Molecular Dynamics ◽

Line Shape ◽

Faculty Opinions recommendation of Native-like RNA tertiary structures using a sequence-encoded cleavage agent and refinement by discrete molecular dynamics.

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

10.3410/f.1147501.604683 ◽

2009 ◽

Author(s):

Scott Silverman

Keyword(s):

Molecular Dynamics ◽

Tertiary Structures ◽

Discrete Molecular Dynamics

Molecular Line Shape Effects on Atmospheric Window Absorption

10.21236/ada196316 ◽

1988 ◽

Author(s):

J. Wormhoudt ◽

R. C. Brown

Keyword(s):

Line Shape ◽

Molecular Line ◽

Atmospheric Window ◽

Native-like RNA Tertiary Structures Using a Sequence-Encoded Cleavage Agent and Refinement by Discrete Molecular Dynamics

Journal of the American Chemical Society ◽

10.1021/ja805460e ◽

2009 ◽

Vol 131 (7) ◽

pp. 2541-2546 ◽

Cited By ~ 53

Author(s):

Costin M. Gherghe ◽

Christopher W. Leonard ◽

Feng Ding ◽

Nikolay V. Dokholyan ◽

Kevin M. Weeks

Keyword(s):

Molecular Dynamics ◽

Tertiary Structures ◽

Discrete Molecular Dynamics

Discrete Molecular Dynamics simulations on hexameric amyloid-β (1-40) and (1-42) models

Biophysical Journal ◽

10.1016/j.bpj.2008.12.1914 ◽

2009 ◽

Vol 96 (3) ◽

pp. 219a

Author(s):

Sijung Yun ◽

H. Robert Guy

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Amyloid Β ◽

Dynamics Simulations

The Computational Study of Nanoparticles Shape Effects on Atomic and Thermal Behavior of H2O-Fe Nanofluid: A Molecular Dynamics Approach

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.117093 ◽

2021 ◽

pp. 117093

Author(s):

Yunhong Shi ◽

Awatef Abidi ◽

Yacine Khetib ◽

Long Zhang ◽

Mohsen Sharifpur ◽

...

Keyword(s):

Molecular Dynamics ◽

Thermal Behavior ◽

Computational Study ◽

Collision-induced line-shape effects limiting the accuracy in Doppler-limited spectroscopy ofH2

Physical Review A ◽

10.1103/physreva.93.022501 ◽

2016 ◽

Vol 93 (2) ◽

Cited By ~ 13

Author(s):

P. Wcisło ◽

I. E. Gordon ◽

C.-F. Cheng ◽

S.-M. Hu ◽

R. Ciuryło

Keyword(s):

Line Shape ◽

Erratum to: “Molecular dynamics investigation of shape effects on thermal characteristics of platinum nanoparticles” [Phys. Lett. A 373 (2009) 272]

Physics Letters A ◽

10.1016/j.physleta.2009.03.033 ◽

2009 ◽

Vol 373 (20) ◽

pp. 1800 ◽

Cited By ~ 2

Author(s):

Yuhua Wen ◽

Hui Fang ◽

Zizhong Zhu ◽

Shigang Sun

Keyword(s):

Molecular Dynamics ◽

Platinum Nanoparticles ◽

Thermal Characteristics ◽

Predicting the Most Stable Aptamer/Target Molecule Complex Configuration Using a Stochastic-Tunnelling Basin-Hopping Discrete Molecular Dynamics Method: A Novel Global Minimum Search Method for a Biomolecule Complex

Computational and Structural Biotechnology Journal ◽

10.1016/j.csbj.2019.06.021 ◽

2019 ◽

Vol 17 ◽

pp. 812-820 ◽

Cited By ~ 1

Author(s):

Hung-Wei Yang ◽

Shin-Pon Ju ◽

Yu-Sheng Lin

Keyword(s):

Molecular Dynamics ◽

Global Minimum ◽

Search Method ◽

Molecular Dynamics Method ◽

Complex Configuration ◽

Target Molecule ◽

Global Minimum Search ◽

Basin Hopping ◽

Dynamics Method

Conformational ensemble of native α-synuclein in solution as determined by short-distance crosslinking constraint-guided discrete molecular dynamics simulations

PLoS Computational Biology ◽

10.1371/journal.pcbi.1006859 ◽

2019 ◽

Vol 15 (3) ◽

pp. e1006859 ◽

Cited By ~ 12

Author(s):

Nicholas I. Brodie ◽

Konstantin I. Popov ◽

Evgeniy V. Petrotchenko ◽

Nikolay V. Dokholyan ◽

Christoph H. Borchers

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Short Distance ◽

Conformational Ensemble ◽

Dynamics Simulations