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Relative stability of protein structures determined by X-ray crystallography or NMR spectroscopy: A molecular dynamics simulation study
Proteins Structure Function and Bioinformatics
◽
10.1002/prot.10496
◽
2003
◽
Vol 53
(1)
◽
pp. 111-120
◽
Cited By ~ 35
Author(s):
Hao Fan
◽
Alan E. Mark
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Nmr Spectroscopy
◽
Simulation Study
◽
Relative Stability
◽
Protein Structures
◽
Dynamics Simulation
◽
X Ray
◽
X Ray Crystallography
Download Full-text
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Conformational analysis by NMR spectroscopy, molecular dynamics simulation in water and X-ray crystallography of glutamic acid analogues: isomers of 1-aminocyclopentane-1,3-dicarboxylic acid
Journal of the Chemical Society Perkin Transactions 2
◽
10.1039/p29950001111
◽
1995
◽
pp. 1111
◽
Cited By ~ 10
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Val�ry Larue
◽
Josyane Gharbi-Benarous
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Marco Crisma
◽
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Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Nmr Spectroscopy
◽
Conformational Analysis
◽
Glutamic Acid
◽
Dicarboxylic Acid
◽
Dynamics Simulation
◽
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◽
X Ray Crystallography
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Conformational Analysis of Furanoid ε-Sugar Amino Acid Containing Cyclic Peptides by NMR Spectroscopy, Molecular Dynamics Simulation, and X-ray Crystallography: Evidence for a Novel Turn Structure
Journal of the American Chemical Society
◽
10.1021/ja035461+
◽
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◽
Vol 125
(36)
◽
pp. 10822-10829
◽
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Author(s):
Renate M. van Well
◽
Luciana Marinelli
◽
Cornelis Altona
◽
Kees Erkelens
◽
Gregg Siegal
◽
...
Keyword(s):
Molecular Dynamics
◽
Amino Acid
◽
Molecular Dynamics Simulation
◽
Nmr Spectroscopy
◽
Conformational Analysis
◽
Cyclic Peptides
◽
Dynamics Simulation
◽
X Ray
◽
X Ray Crystallography
◽
Turn Structure
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Molecular dynamics simulation combined with small‐angle X‐ray/neutron scattering defining solution‐state protein structures
Journal of the Chinese Chemical Society
◽
10.1002/jccs.202000498
◽
2020
◽
Author(s):
Shang‐Wei Lin
◽
Kuan‐Hsuan Su
◽
Yi‐Qi Yeh
◽
U‐Ser Jeng
◽
Chun‐Ming Wu
◽
...
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Neutron Scattering
◽
Small Angle
◽
Protein Structures
◽
Dynamics Simulation
◽
X Ray
◽
Solution State
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Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation
Physical Chemistry Chemical Physics
◽
10.1039/b819157c
◽
2009
◽
Vol 11
(15)
◽
pp. 2601
◽
Cited By ~ 12
Author(s):
Birger Dittrich
◽
John E. Warren
◽
Francesca P. A. Fabbiani
◽
Wolfgang Morgenroth
◽
Ben Corry
Keyword(s):
Molecular Dynamics
◽
Amino Acid
◽
Molecular Dynamics Simulation
◽
Temperature Dependence
◽
Dynamics Simulation
◽
X Ray
◽
X Ray Crystallography
◽
Standard Amino Acid
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Multiple binding modes of a small molecule to human Keap1 revealed by X-ray crystallography and molecular dynamics simulation
FEBS Open Bio
◽
10.1016/j.fob.2015.06.011
◽
2015
◽
Vol 5
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◽
pp. 557-570
◽
Cited By ~ 22
Author(s):
Mikiya Satoh
◽
Hajime Saburi
◽
Tomoyuki Tanaka
◽
Yoshinori Matsuura
◽
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◽
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Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Small Molecule
◽
Dynamics Simulation
◽
Binding Modes
◽
X Ray
◽
X Ray Crystallography
◽
Multiple Binding
Download Full-text
A cylinder-shaped double ribbon structure formed by an amyloid hairpin peptide derived from the β-sheet of murine PrP: An X-ray and molecular dynamics simulation study
Journal of Structural Biology
◽
10.1016/j.jsb.2005.03.003
◽
2005
◽
Vol 150
(3)
◽
pp. 284-299
◽
Cited By ~ 6
Author(s):
Vincent Croixmarie
◽
Fatma Briki
◽
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◽
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◽
Ludmila Ovtracht
◽
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Molecular Dynamics
◽
Molecular Dynamics Simulation
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Simulation Study
◽
Dynamics Simulation
◽
X Ray
◽
Ribbon Structure
◽
Β Sheet
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1P-020 Mechanism of Interfacial Activation of a Family I.3 Lipase with Two Lid Structures Revealed by X-ray Crystallography and Molecular Dynamics Simulation(Protein:Structure & Function, The 47th Annual Meeting of the Biophysical Society of Japan)
Seibutsu Butsuri
◽
10.2142/biophys.49.s66_5
◽
2009
◽
Vol 49
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◽
pp. S66
Author(s):
Clement Angkawidjaja
◽
Hiroyoshi Matsumura
◽
Yuichi Koga
◽
Kazufumi Takano
◽
Shigenori Kanaya
Keyword(s):
Molecular Dynamics
◽
Molecular Dynamics Simulation
◽
Annual Meeting
◽
Dynamics Simulation
◽
X Ray
◽
Interfacial Activation
◽
X Ray Crystallography
◽
Biophysical Society
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Hydration of the Calcium Ion. An EXAFS, Large-Angle X-ray Scattering, and Molecular Dynamics Simulation Study
Journal of the American Chemical Society
◽
10.1021/ja001533a
◽
2001
◽
Vol 123
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◽
pp. 431-441
◽
Cited By ~ 207
Author(s):
Farideh Jalilehvand
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◽
Patric Lindqvist-Reis
◽
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Molecular Dynamics
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Molecular Dynamics Simulation
◽
Simulation Study
◽
Calcium Ion
◽
Large Angle
◽
Dynamics Simulation
◽
X Ray
◽
X Ray Scattering
◽
Ray Scattering
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Structure of HI-6•Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design
PLoS ONE
◽
10.1371/journal.pone.0005957
◽
2009
◽
Vol 4
(6)
◽
pp. e5957
◽
Cited By ~ 63
Author(s):
Fredrik Ekström
◽
Andreas Hörnberg
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Gunter Schneider
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...
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Molecular Dynamics
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Molecular Dynamics Simulation
◽
Dynamics Simulation
◽
X Ray
◽
X Ray Crystallography
◽
Hi 6
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Solvation and Aggregation ofN,N′-Dialkylimidazolium Ionic Liquids: A Multinuclear NMR Spectroscopy and Molecular Dynamics Simulation Study
The Journal of Physical Chemistry B
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10.1021/jp800769u
◽
2008
◽
Vol 112
(25)
◽
pp. 7363-7369
◽
Cited By ~ 59
Author(s):
Richard C. Remsing
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◽
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Guillermo Moyna
Keyword(s):
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Ionic Liquids
◽
Molecular Dynamics Simulation
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Nmr Spectroscopy
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Simulation Study
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Dynamics Simulation
◽
Multinuclear Nmr
◽
Multinuclear Nmr Spectroscopy
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