L-Carnosine_MD_Dataset
Year: 2026
Type: dataset
Abstract: This repository contains the molecular dynamics (MD) simulation data supporting the study entitled “Integrated Computational and Experimental Evaluation of L-Carnosine as a Multi-Target Anti-Inflammatory Candidate.” The dataset includes MD simulation outputs for L-carnosine complexes with the histamine H4 receptor (HRH4), cyclooxygenase-2 (COX-2), and 5-lipoxygenase (5-LOX), together with the corresponding reference ligand complexes used for comparative analysis. The deposited files provide supporting data for the structural stability, protein–ligand interactions, and dynamic behavior discussed in the manuscript. The dataset is intended to enhance transparency, reproducibility, and reuse of the computational results reported in the study.
Source: Figshare
Author: Nigar Kantarci-Carsibasi
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7221829088