Work

Data and code for "Design Principles for Natural SGLT2 Modulators from Multiscale Computation"

Year: 2026

Type: dataset

Abstract: All data, input files, analysis scripts, and materials required to reproduce this study, including the POPC membrane molecular dynamics simulations, are freely available at https://github.com/khibech/POPC.SGLT2 and have been archived in the Zenodo repository at https://doi.org/10.5281/zenodo.22230678.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.22230677

Authors: Khibech, Oussama, Abadi, Said, Bouhrim, Mohamed, Hammouti, Yousra, Merzouki, Mohammed, Addi, Mohamed, Al-Zharani, Mohammed, Nasr, Fahd A., Qurtam, Ashraf Ahmed, Challioui, Allal

Institutions: Mohamed I University, Université de Lille, Imam Mohammad ibn Saud Islamic University

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Drug Discovery

Field: Pharmacology, Toxicology and Pharmaceutics

Domain: Life Sciences

SDG: Good health and well-being

Open Access status: green

OpenAlex ID: W7204924727

Cites:

Cited by: 1

Related to: 10