Work

MD Simulations of ASBT LB

Year: 2026

Type: preprint

Abstract: Molecular dynamics (MD) simulation of the bacterial secondary active transporter ASBT_LB, including trajectories in GROMACS XTC file format and GROMACS topology files for protein, lipids, ions, water, and deoxycholic acid (DCA).

DOI: 10.17605/osf.io/8rxzc

Authors: Repa, Leah, Beckstein, Oliver

Institution: Arizona State University

Language: English

Topic: Drug Transport and Resistance Mechanisms

Subfield: Oncology

Field: Medicine

Domain: Health Sciences

Open Access status: green

Funders: Leverhulme Trust, National Institutes of Health, Medical Research Council, Biotechnology and Biological Sciences Research Council, National Institute of General Medical Sciences

Awards: G1023165592, Midlands Integrative Biosciences Training Partnership (MIBTP), Molecular mechanisms of secondary active transporters, Structural and biophysical basis of Connexin26 channel mediated disease

OpenAlex ID: W7130677178

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