Complete Structural Characterization of Metallacyclic Complexes in Solution-Phase Using Simultaneously X-ray Diffraction and Molecular Dynamics Simulation

Solution Phase ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray

Structural characterization of EGFR exon 19 deletion mutation using molecular dynamics simulation

PLoS ONE ◽

10.1371/journal.pone.0222814 ◽

2019 ◽

Vol 14 (9) ◽

pp. e0222814 ◽

Cited By ~ 2

Author(s):

Mahlet Z. Tamirat ◽

Marika Koivu ◽

Klaus Elenius ◽

Mark S. Johnson

Keyword(s):

Molecular Dynamics ◽

Deletion Mutation ◽

Dynamics Simulation ◽

Exon 19 Deletion ◽

Exon 19

X-ray diffraction "fingerprinting" of DNA structure in solution for quantitative evaluation of molecular dynamics simulation

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.0600022103 ◽

2006 ◽

Vol 103 (10) ◽

pp. 3534-3539 ◽

Cited By ~ 71

Author(s):

X. Zuo ◽

G. Cui ◽

K. M. Merz ◽

L. Zhang ◽

F. D. Lewis ◽

...

Keyword(s):

Molecular Dynamics ◽

Quantitative Evaluation ◽

Dna Structure ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray ◽

Structure In Solution

Structural study of molten pseudo-binary B2O3Na2O · 2SiO2 system by X-ray diffraction and molecular dynamics simulation

Journal of Non-Crystalline Solids ◽

10.1016/s0022-3093(05)80568-x ◽

1992 ◽

Vol 143 ◽

pp. 201-206 ◽

Cited By ~ 6

Author(s):

Hiroshi Ogawa ◽

Kazumasa Sugiyama ◽

Yoshio Waseda ◽

Yutaka Shiraishi

Keyword(s):

Molecular Dynamics ◽

Structural Study ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray

Structural analysis of a molten (Li-Na-K)Cl mixture of the eutectic composition by means of X-ray diffraction and molecular dynamics simulation.

NIPPON KAGAKU KAISHI ◽

10.1246/nikkashi.1986.1492 ◽

1986 ◽

pp. 1492-1500 ◽

Cited By ~ 5

Author(s):

Akira ENDOH ◽

Toshio YAMAGUCHI ◽

Isao OKADA ◽

Hitoshi OHTAKI

Keyword(s):

Molecular Dynamics ◽

Structural Analysis ◽

Eutectic Composition ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray

An atomistic study of the structural changes in a Zr–Cu–Ni–Al glass-forming liquid on vitrification monitored in-situ by X-ray diffraction and molecular dynamics simulation

Intermetallics ◽

10.1016/j.intermet.2020.106795 ◽

2020 ◽

Vol 122 ◽

pp. 106795

Author(s):

D.V. Louzguine-Luzgin ◽

K. Georgarakis ◽

J. Andrieux ◽

L. Hennet ◽

T. Morishita ◽

...

Keyword(s):

Molecular Dynamics ◽

Structural Changes ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray ◽

Glass Forming ◽

Atomistic Study

Structure of Hydrated Crystal (Lc), Tilted Gel (Lβ′), and Liquid Crystal (Lα) Phases of Linear Alkylbenzene Sulfonate (LAS) Studied by X-ray Diffraction and Molecular Dynamics Simulation

Langmuir ◽

10.1021/acs.langmuir.9b01199 ◽

2019 ◽

Vol 35 (27) ◽

pp. 9011-9019 ◽

Cited By ~ 2

Author(s):

Kosuke Takeda ◽

Yoshimichi Andoh ◽

Wataru Shinoda ◽

Susumu Okazaki

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Linear Alkylbenzene Sulfonate ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

Linear Alkylbenzene ◽

X Ray ◽

Alkylbenzene Sulfonate ◽

Hydrated Crystal

Structural characterization of amorphous silicon nitride by molecular dynamics simulation

Journal of Non-Crystalline Solids ◽

10.1016/0022-3093(92)90107-u ◽

1992 ◽

Vol 150 (1-3) ◽

pp. 120-125 ◽

Cited By ~ 24

Author(s):

Norimasa Umesaki ◽

Naoto Hirosaki ◽

Kazuyuki Hirao

Keyword(s):

Molecular Dynamics ◽

Silicon Nitride ◽

Amorphous Silicon ◽

Dynamics Simulation ◽

Amorphous Silicon Nitride

Structural Characterization of the Phosphotyrosine Binding Region of a High-Affinity SH2 Domain−Phosphopeptide Complex by Molecular Dynamics Simulation and Chemical Shift Calculations

Journal of the American Chemical Society ◽

10.1021/ja961530r ◽

1996 ◽

Vol 118 (45) ◽

pp. 11265-11277 ◽

Cited By ~ 29

Author(s):

Ming-Hsiang Feng ◽

Marios Philippopoulos ◽

Alexander D. MacKerell ◽

Carmay Lim

Keyword(s):

Molecular Dynamics ◽

Chemical Shift ◽

Sh2 Domain ◽

Dynamics Simulation ◽

Binding Region ◽

High Affinity ◽

Chemical Shift Calculations

Homo and Heterodimeric Structures of CCR5 and CXCR4: Molecular Dynamics Simulation as an Alternative to X-Ray Diffraction

Biophysical Journal ◽

10.1016/j.bpj.2018.11.1874 ◽

2019 ◽

Vol 116 (3) ◽

pp. 344a ◽

Cited By ~ 1

Author(s):

Daniele Di Marino ◽

Stefano Motta ◽

Vittorio Limongelli

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray

Molecular dynamics simulation and X—ray diffraction studies of ethylene carbonate, propylene carbonate and dimethyl carbonate in liquid phase

Journal of Molecular Liquids ◽

10.1016/s0167-7322(01)00192-1 ◽

2001 ◽

Vol 92 (3) ◽

pp. 201-216 ◽

Cited By ~ 41

Author(s):

Jean-Christophe Soetens ◽

Claude Millot ◽

Bernard Maigret ◽

Imre Bakó

Keyword(s):

Molecular Dynamics ◽

Liquid Phase ◽

Propylene Carbonate ◽

Dimethyl Carbonate ◽

Ethylene Carbonate ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray