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

Peptide Derivative ◽

Dynamics Simulations ◽

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 ◽

Antihypertensive Drug ◽

In Silico ◽

At1 Receptor ◽

Dynamic Nmr ◽

In Silico Docking ◽

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 ◽

1H Nmr ◽

Dynamics Simulations ◽

Conformational Analysis of a Tetrasaccharide Based on NMR Spectroscopy and Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp052206y ◽

2005 ◽

Vol 109 (36) ◽

pp. 17320-17326 ◽

Cited By ~ 15

Author(s):

Clas Landersjö ◽

Jennie L. M. Jansson ◽

Arnold Maliniak ◽

Göran Widmalm

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

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 ◽

Dynamics Simulations ◽

Application of two-dimensional NMR spectroscopy and molecular dynamics simulations to the conformational analysis of oligosaccharides corresponding to the cell-wall polysaccharide of Streptococcus group A

International Journal of Biological Macromolecules ◽

10.1016/0141-8130(95)92678-j ◽

1995 ◽

Vol 17 (3-4) ◽

pp. 117-130 ◽

Cited By ~ 10

Author(s):

Uwe C. Kreis ◽

Vikram Varma ◽

B.Mario Pinto

Keyword(s):

Molecular Dynamics ◽

Cell Wall ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Cell Wall Polysaccharide ◽

Two Dimensional ◽

Streptococcus Group ◽

Group A ◽

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 ◽

Nuclear Magnetic Resonance Spectroscopy ◽

Resonance Spectroscopy ◽

Dynamics Simulations ◽

Nuclear Magnetic

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 ◽

Annual Meeting ◽

Replica Exchange ◽

Replica Exchange Molecular Dynamics ◽

Biophysical Society ◽

Hydrogen Bonds in GlcNAc( β1,3)Gal( β)OMe in DMSO Studied by NMR Spectroscopy and Molecular Dynamics Simulations

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2004.25.2.198 ◽

2004 ◽

Vol 25 (2) ◽

pp. 198-202 ◽

Cited By ~ 2

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Hydrogen Bonds ◽

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 ◽

Coarse Grained ◽

Atomic Structures ◽

Dynamics Simulations ◽

Molecular Conformations in the Pentasaccharide LNF-1 Derived from NMR Spectroscopy and Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp2017105 ◽

2011 ◽

Vol 115 (21) ◽

pp. 7109-7121 ◽

Cited By ~ 14

Author(s):

Elin Säwén ◽

Baltzar Stevensson ◽

Jennie Östervall ◽

Arnold Maliniak ◽

Göran Widmalm

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Molecular Conformations ◽