Synthesis and conformational analysis by 1H NMR and restrained molecular dynamics simulations of the cyclic decapeptide [Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly]

Ronald A. Buono; Nathalie Kucharczyk; Magrit Neuenschwander; Johan Kemmink; Lih-Yueh Hwang; Jean-Luc Fauch�re; Carol A. Venanzi

doi:10.1007/bf00355044

Synthesis and conformational analysis by 1H NMR and restrained molecular dynamics simulations of the cyclic decapeptide [Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly]

Journal of Computer-Aided Molecular Design ◽

10.1007/bf00355044 ◽

1996 ◽

Vol 10 (3) ◽

pp. 213-232 ◽

Cited By ~ 2

Author(s):

Ronald A. Buono ◽

Nathalie Kucharczyk ◽

Magrit Neuenschwander ◽

Johan Kemmink ◽

Lih-Yueh Hwang ◽

...

Keyword(s):

Molecular Dynamics ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

1H Nmr ◽

Dynamics Simulations ◽

Restrained Molecular Dynamics

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Conformational analysis of a cyclic thymopoietin-analogue by 1H n.m.r. spectroscopy and restrained molecular dynamics simulations

International journal of peptide & protein research ◽

10.1111/j.1399-3011.1987.tb03348.x ◽

2009 ◽

Vol 30 (3) ◽

pp. 404-414 ◽

Cited By ~ 19

Author(s):

J. LAUTZ ◽

H. KESSLER ◽

R. BOELENS ◽

R. KAPTEIN ◽

W.F. GUNSTEREN

Keyword(s):

Molecular Dynamics ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Restrained Molecular Dynamics

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Conformational analysis of a IgG1 hinge peptide derivative in solution determined by NMR spectroscopy and refined by restrained molecular dynamics simulations

Biopolymers ◽

10.1002/bip.360311007 ◽

1991 ◽

Vol 31 (10) ◽

pp. 1189-1204 ◽

Cited By ~ 36

Author(s):

Horst Kessler ◽

Siggi Mronga ◽

Gerhard Müller ◽

Luis Moroder ◽

Robert Huber

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

Peptide Derivative ◽

Dynamics Simulations ◽

Restrained Molecular Dynamics

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Conformational Analysis of Heparin-Analogue Pentasaccharides by Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulations

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.1c00200 ◽

2021 ◽

Author(s):

Gábor Balogh ◽

Tamás Gyöngyösi ◽

István Timári ◽

Mihály Herczeg ◽

Anikó Borbás ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Dynamics Simulations ◽

Nuclear Magnetic

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3P314 Conformational analysis of PA-glycans by replica-exchange molecular dynamics simulations(30.Miscellaneous topics,Poster,The 51st Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.53.s264_1 ◽

2013 ◽

Vol 53 (supplement1-2) ◽

pp. S264

Author(s):

Shigehisa Watanabe ◽

Suyong Re ◽

Eiro Muneyuki ◽

Yuji Sugita

Keyword(s):

Molecular Dynamics ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

Annual Meeting ◽

Replica Exchange ◽

Replica Exchange Molecular Dynamics ◽

Biophysical Society ◽

Dynamics Simulations

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Backmapping from Multiresolution Coarse-Grained Models to Atomic Structures of Large Biomolecules by Restrained Molecular Dynamics Simulations Using Bayesian Inference

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00062 ◽

2019 ◽

Vol 15 (5) ◽

pp. 3344-3353 ◽

Cited By ~ 13

Author(s):

Junhui Peng ◽

Chuang Yuan ◽

Rongsheng Ma ◽

Zhiyong Zhang

Keyword(s):

Molecular Dynamics ◽

Bayesian Inference ◽

Molecular Dynamics Simulations ◽

Coarse Grained ◽

Atomic Structures ◽

Dynamics Simulations ◽

Restrained Molecular Dynamics

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Antihypertensive Drug Valsartan in Solution and at the AT1 Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, in Silico Docking, and Molecular Dynamics Simulations

Journal of Chemical Information and Modeling ◽

10.1021/ci800427s ◽

2009 ◽

Vol 49 (3) ◽

pp. 726-739 ◽

Cited By ~ 34

Author(s):

Constantinos Potamitis ◽

Maria Zervou ◽

Vassilis Katsiaras ◽

Panagiotis Zoumpoulakis ◽

Serdar Durdagi ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

Antihypertensive Drug ◽

In Silico ◽

At1 Receptor ◽

Dynamic Nmr ◽

In Silico Docking ◽

Dynamics Simulations

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Conformational analysis and molecular dynamics simulations of maltose

Biopolymers ◽

10.1002/bip.360271207 ◽

1988 ◽

Vol 27 (12) ◽

pp. 1927-1952 ◽

Cited By ~ 110

Author(s):

S. N. Ha ◽

L. J. Madsen ◽

J. W. Brady

Keyword(s):

Molecular Dynamics ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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Conformational analysis of arachidonic and related fatty acids using molecular dynamics simulations

Biochimica et Biophysica Acta (BBA) - Molecular Cell Research ◽

10.1016/0167-4889(93)90113-4 ◽

1993 ◽

Vol 1178 (1) ◽

pp. 87-96 ◽

Cited By ~ 42

Author(s):

Marvin R. Rich

Keyword(s):

Molecular Dynamics ◽

Fatty Acids ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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Molecular Dynamics Simulations of the Influenza Hemagglutinin Fusion Peptide in Micelles and Bilayers: Conformational Analysis of Peptide and Lipids

Journal of Molecular Biology ◽

10.1016/j.jmb.2005.10.038 ◽

2005 ◽

Vol 354 (5) ◽

pp. 1129-1141 ◽

Cited By ~ 60

Author(s):

Patrick Lagüe ◽

Benoît Roux ◽

Richard W. Pastor

Keyword(s):

Molecular Dynamics ◽

Conformational Analysis ◽

Molecular Dynamics Simulations ◽

Fusion Peptide ◽

Influenza Hemagglutinin ◽

Dynamics Simulations

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Restrained molecular dynamics simulations of HIV-1 protease: The first step in validating a new target for drug design

Biopolymers ◽

10.1002/bip.20497 ◽

2006 ◽

Vol 82 (3) ◽

pp. 272-284 ◽

Cited By ~ 41

Author(s):

Alexander L. Perryman ◽

Jung-Hsin Lin ◽

J. Andrew McCammon

Keyword(s):

Molecular Dynamics ◽

Drug Design ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Hiv 1 ◽

Restrained Molecular Dynamics

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