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[Data for] Structural basis of drug recognition by human MATE1 transporter

Romane, Ksenija; Peteani, Giulia; Mukherjee, Somnath; Kowal, Julia; Rossi, Lorenzo; Hou, Jingkai; Kossiakoff, Anthony A.; Lemmin, Thomas; Locher, Kaspar P.
2025
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Abstract: This repository contains molecular dynamics (MD) simulation trajectories and the corresponding structure files used in the study 'Structural basis of drug recognition by the human MATE1 transporter'.

Title
[Data for] Structural basis of drug recognition by human MATE1 transporter
Creator
Romane, Ksenija : ETH Zürich : (https://orcid.org/0000-0003-1769-7951)
Peteani, Giulia : Universität Bern
Mukherjee, Somnath : University of Chicago : (https://orcid.org/0000-0001-5447-4496)
Kowal, Julia : ETH Zürich : (https://orcid.org/0000-0003-4694-1896)
Rossi, Lorenzo : ETH Zürich : (https://orcid.org/0000-0001-6051-3260)
Hou, Jingkai : University of Chicago : (https://orcid.org/0009-0006-3992-3410)
Kossiakoff, Anthony A. : University of Chicago : (https://orcid.org/0000-0003-3174-9359)
Lemmin, Thomas : Universität Bern : (https://orcid.org/0000-0001-5705-4964)
Locher, Kaspar P. : ETH Zürich : (https://orcid.org/0000-0002-8207-2889)
Content Type
Dataset
Dataset Format
Dataset
File Format
dcd files
prmtop files
frcmod files
md file
Version
1
Keywords
Identifier(s)
DOI: https://doi.org/10.5281/zenodo.15836459
Funding Information
SNSF NCCR TransCure, (https://ror.org/00yjd3n13), ROR, 51NF40-185544
SNSF, (https://ror.org/00yjd3n13), ROR, 214834
SNSF, (https://ror.org/00yjd3n13), ROR, PCEFP3_194606
National Institutes of Health, (https://ror.org/01cwqze88), ROR, GM117372
Publisher
Zenodo
Publication Date
2025-07-08
Language
English
Licensing
Record Appears in
Biological Sciences Division > Biochemistry and Molecular Biology
All
Record Created
2025-10-27

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