Probing Methyl Group Dynamics in Proteins by NMR Cross-Correlated Dipolar Relaxation and Molecular Dynamics Simulations

Ahmed A.A.I. Ali; Falk Hoffmann; Lars V. Schäfer; Frans A.A. Mulder

doi:10.1021/acs.jctc.2c00568

Probing Methyl Group Dynamics in Proteins by NMR Cross-Correlated Dipolar Relaxation and Molecular Dynamics Simulations

Ahmed A.A.I. Ali
, Falk Hoffmann
, Lars V. Schäfer^*
, Frans A.A. Mulder

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	7722-7732
Number of pages	11
Journal	Journal of Chemical Theory and Computation
Volume	18
Issue number	12
DOIs	https://doi.org/10.1021/acs.jctc.2c00568
Publication status	Published - 13 Dec 2022
Externally published	Yes

Fields of science

106002 Biochemistry
104022 Theoretical chemistry
104002 Analytical chemistry
104026 Spectroscopy
106006 Biophysics
106057 Metabolomics
106005 Bioinformatics
106041 Structural biology
210002 Nanobiotechnology
104021 Structural chemistry
106023 Molecular biology

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10.1021/acs.jctc.2c00568

Cite this

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title = "Probing Methyl Group Dynamics in Proteins by NMR Cross-Correlated Dipolar Relaxation and Molecular Dynamics Simulations",

author = "Ali, \{Ahmed A.A.I.\} and Falk Hoffmann and Sch{\"a}fer, \{Lars V.\} and Mulder, \{Frans A.A.\}",

year = "2022",

month = dec,

day = "13",

doi = "10.1021/acs.jctc.2c00568",

language = "English",

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T1 - Probing Methyl Group Dynamics in Proteins by NMR Cross-Correlated Dipolar Relaxation and Molecular Dynamics Simulations

AU - Ali, Ahmed A.A.I.

AU - Hoffmann, Falk

AU - Schäfer, Lars V.

AU - Mulder, Frans A.A.

PY - 2022/12/13

Y1 - 2022/12/13

UR - https://www.scopus.com/pages/publications/85141799586

U2 - 10.1021/acs.jctc.2c00568

DO - 10.1021/acs.jctc.2c00568

M3 - Article

C2 - 36326619

AN - SCOPUS:85141799586

SN - 1549-9618

VL - 18

SP - 7722

EP - 7732

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 12

ER -

Probing Methyl Group Dynamics in Proteins by NMR Cross-Correlated Dipolar Relaxation and Molecular Dynamics Simulations

Fields of science

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