Toward Quantitative Interpretation of Methyl Side-Chain Dynamics from NMR by Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

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

Published:2007-10-31 Issue:46 Volume:129 Page:14146-14147
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Showalter Scott A.¹,Johnson Eric¹,Rance Mark¹,Brüschweiler Rafael¹

Affiliation:

1. Department of Chemistry and Biochemistry & National High Magnetic Field Laboratory, Florida State University, Tallahassee, Florida 32306, and Department of Molecular Genetics, Biochemistry and Microbiology, University of Cincinnati, Cincinnati, Ohio 45267

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja075976r

Reference35 articles.

1. Importance of the CMAP Correction to the CHARMM22 Protein Force Field: Dynamics of Hen Lysozyme

2. (a) Hornak, V.; Abel, R.; Okur, A.; Strockbine, B.; Roitberg, A.; Simmerling, C.Proteins: Struct., Funct., Bioinf.2006,65, 712−725.

3. HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations

Cited by 69 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The Open Force Field Initiative: Open Software and Open Science for Molecular Modeling;The Journal of Physical Chemistry B;2024-07-11

2. Probing Methyl Group Dynamics in Proteins by NMR Cross-Correlated Dipolar Relaxation and Molecular Dynamics Simulations;Journal of Chemical Theory and Computation;2022-11-03

3. How to strike a conformational balance in protein force fields for molecular dynamics simulations?;WIREs Computational Molecular Science;2021-10-05

4. Observation of Sub-Microsecond Protein Methyl-Side Chain Dynamics by Nanoparticle-Assisted NMR Spin Relaxation;Journal of the American Chemical Society;2021-08-24

5. Fitting Side-Chain NMR Relaxation Data Using Molecular Simulations;Journal of Chemical Theory and Computation;2021-07-22