Restrained Molecular Dynamics Procedure for Protein Tertiary Structure Determination from NMR Data: ALacRepressor Headpiece Structure Based on Information on J-coupling and from Presence and Absence of NOE's

J. De Vlieg; R. Boelens; R. M. Scheek; R. Kaptein; W. F. van Gunsteren

doi:10.1002/ijch.198600027

Restrained Molecular Dynamics Procedure for Protein Tertiary Structure Determination from NMR Data: ALacRepressor Headpiece Structure Based on Information on J-coupling and from Presence and Absence of NOE's

Israel Journal of Chemistry ◽

10.1002/ijch.198600027 ◽

1986 ◽

Vol 27 (2) ◽

pp. 181-188 ◽

Cited By ~ 68

Author(s):

J. De Vlieg ◽

R. Boelens ◽

R. M. Scheek ◽

R. Kaptein ◽

W. F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Structure Determination ◽

Tertiary Structure ◽

Protein Tertiary Structure ◽

Nmr Data ◽

J Coupling ◽

Presence And Absence ◽

Restrained Molecular Dynamics

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Dynamic properties of salmon calcitonin bound to sodium dodecyl sulfate micelles: A restrained molecular dynamics study from NMR data

Journal of Biomolecular NMR ◽

10.1007/bf01874812 ◽

1992 ◽

Vol 2 (4) ◽

pp. 335-348 ◽

Cited By ~ 16

Author(s):

Maria A. Castiglione Morelli ◽

Annalisa Pastore ◽

Andrea Motta

Keyword(s):

Molecular Dynamics ◽

Sodium Dodecyl Sulfate ◽

Salmon Calcitonin ◽

Dynamic Properties ◽

Sodium Dodecyl ◽

Nmr Data ◽

Dodecyl Sulfate ◽

Restrained Molecular Dynamics

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Molecular dynamics simulation of human interleukin-4: comparison with NMR data and effect of pH, counterions and force field on tertiary structure stability

Molecular Simulation ◽

10.1080/08927020701613623 ◽

2007 ◽

Vol 33 (14) ◽

pp. 1143-1154 ◽

Cited By ~ 2

Author(s):

M. Winger ◽

H. Yu ◽

C. Redfield ◽

W. F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Force Field ◽

Tertiary Structure ◽

Dynamics Simulation ◽

Interleukin 4 ◽

Structure Stability ◽

Effect Of Ph ◽

Nmr Data

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ChemInform Abstract: Structure Determination and MSn Analysis of Two New Lissoclinamides Isolated from the Indo-Pacific Ascidian Lissoclinum patella: NOE Restrained Molecular Dynamics Confirms the Absolute Stereochemistry Derived by Degradative Methods.

ChemInform ◽

10.1002/chin.200109179 ◽

2001 ◽

Vol 32 (9) ◽

pp. no-no

Author(s):

Linda A. Morris ◽

J. Jantina Kettenes van den Bosch ◽

Kees Versluis ◽

Gary S. Thompson ◽

Marcel Jaspars

Keyword(s):

Molecular Dynamics ◽

Structure Determination ◽

Lissoclinum Patella ◽

Abstract Structure ◽

The Absolute ◽

Absolute Stereochemistry ◽

Restrained Molecular Dynamics

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2S4-1 Electronic state, molecular dynamics, and functions of proteins(2S4 What protein tertiary structure tells us,The 46th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.48.s9_6 ◽

2008 ◽

Vol 48 (supplement) ◽

pp. S9

Author(s):

Takahisa Yamato

Keyword(s):

Molecular Dynamics ◽

Annual Meeting ◽

Electronic State ◽

Tertiary Structure ◽

Protein Tertiary Structure ◽

Biophysical Society

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Structure Determination and MSn Analysis of Two New Lissoclinamides Isolated from the Indo–Pacific Ascidian Lissoclinum patella: NOE Restrained Molecular Dynamics Confirms the Absolute Stereochemistry Derived by Degradative Methods

Tetrahedron ◽

10.1016/s0040-4020(00)00746-8 ◽

2000 ◽

Vol 56 (42) ◽

pp. 8345-8353 ◽

Cited By ~ 29

Author(s):

Linda A. Morris ◽

J. Jantina Kettenes van den Bosch ◽

Kees Versluis ◽

Gary S. Thompson ◽

Marcel Jaspars

Keyword(s):

Molecular Dynamics ◽

Structure Determination ◽

Lissoclinum Patella ◽

The Absolute ◽

Absolute Stereochemistry ◽

Restrained Molecular Dynamics

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Structure of a DNA octamer, d(CCTTAAGG)2 obtained by restrained molecular dynamics based on Raman and NMR data

Journal of Molecular Structure ◽

10.1016/0022-2860(91)87131-z ◽

1991 ◽

Vol 242 ◽

pp. 119-133 ◽

Cited By ~ 1

Author(s):

Nobusato Ito ◽

Haruki Nakamura ◽

Hiromi Sumikawa ◽

Nobuya Nagashima ◽

Yoji Arata ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Data ◽

Restrained Molecular Dynamics

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Tertiary structure of two-electron reduced Megasphaera elsdenii flavodoxin and some implications, as determined by two-dimensional 1H-NMR and restrained molecular dynamics

European Journal of Biochemistry ◽

10.1111/j.1432-1033.1990.tb19444.x ◽

1990 ◽

Vol 194 (1) ◽

pp. 185-198 ◽

Cited By ~ 31

Author(s):

Carlo P. M. MIERLO ◽

Philip LIJNZAAD ◽

Jacques VERVOORT ◽

Franz MULLER ◽

Herman J. C. BERENDSEN ◽

...

Keyword(s):

Molecular Dynamics ◽

1H Nmr ◽

Tertiary Structure ◽

Two Dimensional ◽

Megasphaera Elsdenii ◽

Restrained Molecular Dynamics

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Molecular dynamics of associative memory hamiltonians for protein tertiary structure recognition

Tetrahedron Computer Methodology ◽

10.1016/0898-5529(90)90051-9 ◽

1990 ◽

Vol 3 (3-4) ◽

pp. 175-190 ◽

Cited By ~ 16

Author(s):

Mark S. Friedrichs ◽

Peter G. Wolynes

Keyword(s):

Molecular Dynamics ◽

Associative Memory ◽

Tertiary Structure ◽

Protein Tertiary Structure ◽

Structure Recognition

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Solution structure of neuronal bungarotoxin determined by two-dimensional NMR spectroscopy: calculation of tertiary structure using systematic homologous model building, dynamical simulated annealing, and restrained molecular dynamics

Biochemistry ◽

10.1021/bi00126a017 ◽

1992 ◽

Vol 31 (11) ◽

pp. 2962-2970 ◽

Cited By ~ 42

Author(s):

Michael J. Sutcliffe ◽

Christopher M. Dobson ◽

Robert E. Oswald

Keyword(s):

Molecular Dynamics ◽

Simulated Annealing ◽

Nmr Spectroscopy ◽

Solution Structure ◽

Model Building ◽

Tertiary Structure ◽

Two Dimensional ◽

Restrained Molecular Dynamics

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Structure Determination by Restrained Molecular Dynamics Using NMR Pseudocontact Shifts as Experimentally Determined Constraints

Journal of the American Chemical Society ◽

10.1021/ja9904540 ◽

1999 ◽

Vol 121 (40) ◽

pp. 9276-9285 ◽

Cited By ~ 36

Author(s):

Kechuan Tu ◽

Miriam Gochin

Keyword(s):

Molecular Dynamics ◽

Structure Determination ◽

Pseudocontact Shifts ◽

Restrained Molecular Dynamics

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