Best of Two Worlds? How MD Simulations of Amphiphilic Helical Peptides in Membranes Can Complement Data from Oriented Solid-State NMR-Reference-Cited by-同舟云学术

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Best of Two Worlds? How MD Simulations of Amphiphilic Helical Peptides in Membranes Can Complement Data from Oriented Solid-State NMR

Published:2018-10-05 Issue:11 Volume:14 Page:6002-6014
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Reißer Sabine¹^ORCID,Strandberg Erik²^ORCID,Steinbrecher Thomas³,Elstner Marcus³,Ulrich Anne S.¹²^ORCID

Affiliation:

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe, Germany

2. Institute of Biological Interfaces (IBG-2), KIT, P.O. Box 3640, 76012 Karlsruhe, Germany

3. Institute of Physical Chemistry, KIT, Fritz-Haber-Weg 6, 76131 Karlsruhe, Germany

Funder

Helmholtz-Gemeinschaft

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00283

Reference92 articles.

1. Influences of Membrane Mimetic Environments on Membrane Protein Structures

2. Influence of solubilizing environments on membrane protein structures

3. Dramatic Destabilization of Transmembrane Helix Interactions by Features of Natural Membrane Environments

4. Solid-State NMR Analysis of the PGLa Peptide Orientation in DMPC Bilayers: Structural Fidelity of 2H-Labels versus High Sensitivity of 19F-NMR

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1. Binding and dimerization of PGLa peptides in anionic lipid bilayer studied by replica exchange molecular dynamics;Scientific Reports;2024-02-29

2. Replica Exchange with Hybrid Tempering Efficiently Samples PGLa Peptide Binding to Anionic Bilayer;Journal of Chemical Theory and Computation;2023-09-07

3. Temperature‐Dependent Re‐alignment of the Short Multifunctional Peptide BP100 in Membranes Revealed by Solid‐State NMR Spectroscopy and Molecular Dynamics Simulations;ChemBioChem;2023-01-09

4. Charged Small Molecule Binding to Membranes in MD Simulations Evaluated against NMR Experiments;The Journal of Physical Chemistry B;2022-09-05

5. Filling the Gap with Long n-Alkanes: Incorporation of C20 and C30 into Phospholipid Membranes;Langmuir;2022-07-05

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