Work

Martini 3 SI data

Year: 2025

Type: article

Abstract: This repository contains the datasets associated with the manuscript “Martini3 as a Transferable Force Field for Lipopolysaccharide Parametrization” The file includes: Developed parameters: Topologies and force field parameters for lipopolysaccharide (LPS) building blocks and assembled systems (Klebsiella pneumoniae O5, Salmonella enterica O4, E. coli O157, E. coli K12, and Pseudomonas aeruginosa PAO5). Last frame from simulation trajectories: Coarse-grained and all-atom models. Script used to combine disaccharide parameter files into a complete LPS parameter set.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.17253571

Author: Gutishvili, Gvantsa

Institution: Georgia Institute of Technology

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W7084575740

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