Solution structure of cyanocobalamin (vitamin B12) by NMR-restrained molecular dynamics and simulated annealing calculations

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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REFINED SOLUTION STRUCTURE OF Al3+-THYMULIN COMPLEXES BASED ON RESTRAINED MOLECULAR DYNAMICS CALCULATIONS

Main Group Metal Chemistry ◽

10.1515/mgmc.1997.20.12.767 ◽

1997 ◽

Vol 20 (12) ◽

Author(s):

Jean-Pierre Laussac ◽

Philippe Arnaud ◽

Piotr Orlewski ◽

Manh-Thong Cung

Keyword(s):

Molecular Dynamics ◽

Solution Structure ◽

Molecular Dynamics Calculations ◽

Restrained Molecular Dynamics

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Solution Structure of a DNA Dodecamer Containing the Anti-Neoplastic Agent Arabinosylcytosine: Combined Use of NMR, Restrained Molecular Dynamics, and Full Relaxation Matrix Refinement

Biochemistry ◽

10.1021/bi00204a008 ◽

1994 ◽

Vol 33 (38) ◽

pp. 11460-11475 ◽

Cited By ~ 24

Author(s):

Barry I. Schweitzer ◽

Thomas Mikita ◽

Gregory W. Kellogg ◽

Kevin H. Gardner ◽

G. Peter Beardsley

Keyword(s):

Molecular Dynamics ◽

Solution Structure ◽

Relaxation Matrix ◽

Combined Use ◽

Full Relaxation ◽

Dna Dodecamer ◽

Relaxation Matrix Refinement ◽

Restrained Molecular Dynamics

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Refinement of the solution structure of the DNA dodecamer 5'd(CGCGPATTCGCG)2 containing a stable purine-thymine base pair: combined use of nuclear magnetic resonance and restrained molecular dynamics

Biochemistry ◽

10.1021/bi00411a042 ◽

1988 ◽

Vol 27 (11) ◽

pp. 4185-4197 ◽

Cited By ~ 32

Author(s):

G. Marius Clore ◽

Hartmut Oschkinat ◽

Larry W. McLaughlin ◽

Fritz Benseler ◽

Claudia Scalfi Happ ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Base Pair ◽

Solution Structure ◽

Combined Use ◽

Dna Dodecamer ◽

Restrained Molecular Dynamics ◽

Nuclear Magnetic

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Solution structure of human insulin-like growth factor 1: a nuclear magnetic resonance and restrained molecular dynamics study

Biochemistry ◽

10.1021/bi00236a022 ◽

1991 ◽

Vol 30 (22) ◽

pp. 5484-5491 ◽

Cited By ~ 101

Author(s):

Robert M. Cooke ◽

Timothy S. Harvey ◽

Iain D. Campbell

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Growth Factor ◽

Magnetic Resonance ◽

Human Insulin ◽

Solution Structure ◽

Insulin Like Growth Factor ◽

Restrained Molecular Dynamics ◽

Nuclear Magnetic

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Homology modeling using simulated annealing of restrained molecular dynamics and conformational search calculations with CONGEN: Application in predicting the three-dimensional structure of murine homeodomain Msx-1

Protein Science ◽

10.1002/pro.5560060502 ◽

1997 ◽

Vol 6 (5) ◽

pp. 956-970 ◽

Cited By ~ 29

Author(s):

Haicheng Li ◽

Roberto Tejero ◽

Daniel Monleon ◽

Donna Bassolino-Klimas ◽

Cory Abate-Shen ◽

...

Keyword(s):

Molecular Dynamics ◽

Simulated Annealing ◽

Homology Modeling ◽

Three Dimensional ◽

Conformational Search ◽

Dimensional Structure ◽

Three Dimensional Structure ◽

Restrained Molecular Dynamics

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NMR and Restrained Molecular Dynamics Study of the Three-Dimensional Solution Structure of Toxin FS2, a Specific Blocker of the L-Type Calcium Channel, Isolated from Black Mamba Venom

Biochemistry ◽

10.1021/bi00017a022 ◽

1995 ◽

Vol 34 (17) ◽

pp. 5923-5937 ◽

Cited By ~ 39

Author(s):

Jean-Pierre Albrand ◽

Martin J. Blackledge ◽

Franck Pascaud ◽

Michelle Hollecker ◽

Dominique Marion

Keyword(s):

Molecular Dynamics ◽

Calcium Channel ◽

Solution Structure ◽

Three Dimensional ◽

Dimensional Solution ◽

Restrained Molecular Dynamics

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Solution structure of human corticotropin releasing factor by 1H NMR and distance geometry with restrained molecular dynamics

Protein Engineering Design and Selection ◽

10.1093/protein/6.2.149 ◽

1993 ◽

Vol 6 (2) ◽

pp. 149-156 ◽

Cited By ~ 29

Author(s):

Christophe Romier ◽

Jean-Marie Bernassau ◽

Christian Cambillau ◽

Hervé Darbon

Keyword(s):

Molecular Dynamics ◽

1H Nmr ◽

Solution Structure ◽

Distance Geometry ◽

Corticotropin Releasing Factor ◽

Restrained Molecular Dynamics

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Refinement of the solution structure of the DNA decamer 5'd(CTGGATCCAG)2: combined use of nuclear magnetic resonance and restrained molecular dynamics

Biochemistry ◽

10.1021/bi00386a069 ◽

1987 ◽

Vol 26 (12) ◽

pp. 3734-3744 ◽

Cited By ~ 48

Author(s):

Michael Nilges ◽

G. Marius Clore ◽

Angela M. Gronenborn ◽

Norbert Piel ◽

Larry W. McLaughlin

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Solution Structure ◽

Combined Use ◽

Restrained Molecular Dynamics ◽

Nuclear Magnetic

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Solution structure of human calcitonin gene-related peptide by proton NMR and distance geometry with restrained molecular dynamics

Biochemistry ◽

10.1021/bi00216a036 ◽

1991 ◽

Vol 30 (2) ◽

pp. 575-582 ◽

Cited By ~ 59

Author(s):

Alexander L. Breeze ◽

Timothy S. Harvey ◽

Renzo Bazzo ◽

Iain D. Campbell

Keyword(s):

Molecular Dynamics ◽

Solution Structure ◽

Distance Geometry ◽

Proton Nmr ◽

Calcitonin Gene Related Peptide ◽

Human Calcitonin ◽

Related Peptide ◽

Calcitonin Gene ◽

Restrained Molecular Dynamics

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