Toward Quantitative Interpretation of Methyl Side-Chain Dynamics from NMR by Molecular Dynamics Simulations

Side Chain ◽

Quantitative Interpretation ◽

Chain Dynamics ◽

Dynamics Simulations ◽

Faculty Opinions recommendation of Toward quantitative interpretation of methyl side-chain dynamics from NMR by molecular dynamics simulations.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1094872.549811 ◽

2007 ◽

Author(s):

John Cavanagh

Keyword(s):

Molecular Dynamics ◽

Side Chain ◽

Quantitative Interpretation ◽

Chain Dynamics ◽

Dynamics Simulations ◽

Side-Chain Dynamics of the Trifluoroacetone Cysteine Derivative Characterized by19F NMR Relaxation and Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.9b01741 ◽

2019 ◽

Vol 123 (17) ◽

pp. 3665-3671 ◽

Cited By ~ 3

Author(s):

Suad Rashid ◽

Brian L. Lee ◽

Benjamin Wajda ◽

Leo Spyracopoulos

Keyword(s):

Molecular Dynamics ◽

Nmr Relaxation ◽

Side Chain ◽

Chain Dynamics ◽

Cysteine Derivative ◽

Dynamics Simulations ◽

Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. II: Nuclear Magnetic Resonance Experiments

The Journal of Physical Chemistry B ◽

10.1021/jp200906y ◽

2011 ◽

Vol 115 (22) ◽

pp. 7427-7432 ◽

Cited By ~ 2

Author(s):

Vitaly V. Vostrikov ◽

Hong Gu ◽

Helgi I. Ingólfsson ◽

James F. Hinton ◽

Olaf S. Andersen ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Gramicidin A ◽

Side Chain ◽

Chain Dynamics ◽

Dynamics Simulations ◽

Side Chain Dynamics ◽

Nuclear Magnetic

NMR Relaxation and Molecular Dynamics Simulations of Side Chain Dynamics in Proteins

Biophysical Journal ◽

10.1016/j.bpj.2017.11.1892 ◽

2018 ◽

Vol 114 (3) ◽

pp. 339a

Author(s):

Falk Hoffmann ◽

Mengjun Xue ◽

Frans Mulder ◽

Lars Schäfer

Keyword(s):

Molecular Dynamics ◽

Nmr Relaxation ◽

Side Chain ◽

Chain Dynamics ◽

Dynamics Simulations ◽

Gramicidin A Backbone and Side Chain Dynamics Evaluated by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Experiments. I: Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp200904d ◽

2011 ◽

Vol 115 (22) ◽

pp. 7417-7426 ◽

Cited By ~ 25

Author(s):

Helgi I. Ingólfsson ◽

Yuhui Li ◽

Vitaly V. Vostrikov ◽

Hong Gu ◽

James F. Hinton ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Gramicidin A ◽

Side Chain ◽

Chain Dynamics ◽

Dynamics Simulations ◽

Side Chain Dynamics ◽

Nuclear Magnetic

Analysis Of Side-chain Dynamics Of PhoB Dna Binding/transactivation Domain Using Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/j.bpj.2008.12.1486 ◽

2009 ◽

Vol 96 (3) ◽

pp. 299a

Author(s):

Tsutomu Yamane ◽

Hideyasu Okamura ◽

Yoshifumi Nishimura ◽

Akinori Kidera ◽

Mitsunori Ikeguchi

Keyword(s):

Molecular Dynamics ◽

Dna Binding ◽

Side Chain ◽

Transactivation Domain ◽

Chain Dynamics ◽

Dynamics Simulations ◽

Role of Tryptophan Side Chain Dynamics on the Trp-Cage Mini-Protein Folding Studied by Molecular Dynamics Simulations

PLoS ONE ◽

10.1371/journal.pone.0088383 ◽

2014 ◽

Vol 9 (2) ◽

pp. e88383 ◽

Cited By ~ 18

Author(s):

Srinivasaraghavan Kannan ◽

Martin Zacharias

Keyword(s):

Molecular Dynamics ◽

Protein Folding ◽

Side Chain ◽

Chain Dynamics ◽

Dynamics Simulations ◽

2P-052 Analysis of side-chain dynamics of PhoB DNA binding/transactivation domain using molecular dynamics simulations(The 46th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.48.s83_2 ◽

2008 ◽

Vol 48 (supplement) ◽

pp. S83

Author(s):

Tsutomu Yamane ◽

Hideyasu Okamura ◽

Yoshifumi Nishimura ◽

Akinori Kidera ◽

Mitsunori Ikeguchi

Keyword(s):

Molecular Dynamics ◽

Dna Binding ◽

Annual Meeting ◽

Side Chain ◽

Transactivation Domain ◽

Chain Dynamics ◽

Biophysical Society ◽

Dynamics Simulations ◽

Lysine Side-Chain Dynamics in the Binding Site of Homeodomain/DNA Complexes As Observed by NMR Relaxation Experiments and Molecular Dynamics Simulations

Biochemistry ◽

10.1021/acs.biochem.8b00195 ◽

2018 ◽

Vol 57 (19) ◽

pp. 2796-2813 ◽

Cited By ~ 4

Author(s):

Jamie M. Baird-Titus ◽

Mahendra Thapa ◽

Thomas Doerdelmann ◽

Kelly A. Combs ◽

Mark Rance

Keyword(s):

Molecular Dynamics ◽

Binding Site ◽

Nmr Relaxation ◽

Side Chain ◽

Dna Complexes ◽

Chain Dynamics ◽

Lysine Side Chain ◽

Relaxation Experiments ◽

Dynamics Simulations ◽

Faculty Opinions recommendation of Coupling between side chain interactions and binding pocket flexibility in HLA-B*44:02 molecules investigated by molecular dynamics simulations.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.718542946.793528448 ◽

2017 ◽

Author(s):

Tim Elliott ◽

Andy van Hateren

Keyword(s):

Molecular Dynamics ◽

Binding Pocket ◽

Side Chain ◽

Dynamics Simulations