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

1996 ◽  
Vol 118 (45) ◽  
pp. 11265-11277 ◽  
Author(s):  
Ming-Hsiang Feng ◽  
Marios Philippopoulos ◽  
Alexander D. MacKerell ◽  
Carmay Lim
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Chemical Shift ◽  
Structural Characterization ◽  
Sh2 Domain ◽  
Dynamics Simulation ◽  
Binding Region ◽  
High Affinity ◽  
Chemical Shift Calculations

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

PLoS ONE ◽  
2019 ◽  
Vol 14 (9) ◽  
pp. e0222814 ◽  
Author(s):  
Mahlet Z. Tamirat ◽  
Marika Koivu ◽  
Klaus Elenius ◽  
Mark S. Johnson
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Characterization ◽  
Deletion Mutation ◽  
Dynamics Simulation ◽  
Exon 19 Deletion ◽  
Exon 19

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

2008 ◽  
Vol 130 (29) ◽  
pp. 9206-9207 ◽  
Author(s):  
Tünde Megyes ◽  
Szabolcs Bálint ◽  
Imre Bakó ◽  
Tamás Grósz ◽  
Gábor Pálinkás
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Characterization ◽  
Solution Phase ◽  
Dynamics Simulation ◽  
X Ray Diffraction ◽  
X Ray

Structural characterization of neodymium containing glasses by molecular dynamics simulation

2005 ◽  
Vol 351 (14-15) ◽  
pp. 1185-1191 ◽  
Author(s):  
A. Bonamartini Corradi ◽  
V. Cannillo ◽  
M. Montorsi ◽  
C. Siligardi ◽  
A.N. Cormack
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structural Characterization ◽  
Dynamics Simulation

scholarly journals Structural Characterization of the Histone Multimers in the Gas Phase using Ion Mobility Mass Spectrometry and Molecular Dynamics Simulation

2014 ◽  
Vol 106 (2) ◽  
pp. 464a
Author(s):  
Kazumi Saikusa ◽  
Sotaro Fuchigami ◽  
Kyohei Takahashi ◽  
Yuuki Asano ◽  
Aritaka Nagadoi ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gas Phase ◽  
Structural Characterization ◽  
Ion Mobility ◽  
Dynamics Simulation ◽  
Ion Mobility Mass Spectrometry

Characterization of the Reduced and Oxidized Polypyrrole/Water Interface:  A Molecular Dynamics Simulation Study

2003 ◽  
Vol 107 (35) ◽  
pp. 9339-9343 ◽  
Author(s):  
J. J. López Cascales ◽  
A. J. Fernández ◽  
T. F. Otero
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Water Interface

Molecular dynamics simulation and experimental characterization of anionic surfactant: Influence on wettability of low-rank coal

Fuel ◽  
2020 ◽  
Vol 279 ◽  
pp. 118323 ◽  
Author(s):  
Zongqi Liu ◽  
Gang Zhou ◽  
Shuailong Li ◽  
Cunmin Wang ◽  
Rulin Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Anionic Surfactant ◽  
Dynamics Simulation ◽  
Low Rank ◽  
Experimental Characterization ◽  
Low Rank Coal
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