High-Performance Molecular Dynamics Simulations for Native Mass Spectrometry of Large Protein Complexes with the Fast Multipole Method-Reference-Cited by-同舟云学术

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High-Performance Molecular Dynamics Simulations for Native Mass Spectrometry of Large Protein Complexes with the Fast Multipole Method

Published:2024-09-04 Issue: Volume: Page:
ISSN:0003-2700
Container-title:Analytical Chemistry
language:en
Short-container-title:Anal. Chem.

Author:

Persson Louise J.¹,Sahin Cagla²³^ORCID,Landreh Michael²⁴^ORCID,Marklund Erik G.¹^ORCID

Affiliation:

1. Department of Chemistry − BMC, Uppsala University, SE-75123 Uppsala, Sweden

2. Department of Microbiology, Tumor and Cell Biology, Karolinska Institutet, SE-17165 Solna, Sweden

3. Department of Biology, Structural Biology and NMR Laboratory and the Linderstro̷m-Lang Centre for Protein Science, University of Copenhagen, DK-2200 Copenhagen, Denmark

4. Department of Cell and Molecular Biology, Uppsala University, SE-75124 Uppsala, Sweden

Funder

Vetenskapsr?det

Knut och Alice Wallenbergs Stiftelse

Novo Nordisk Fonden

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.4c03272

Reference60 articles.

1. A GPU-Accelerated Fast Multipole Method for GROMACS: Performance and Accuracy

2. Weighing-up protein dynamics: the combination of native mass spectrometry and molecular dynamics simulations

3. Helices and Sheets in vacuo

4. A Direct Comparison of Protein Structure in the Gas and Solution Phase: The Trp-cage

5. Protein Structures under Electrospray Conditions

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