Work

Source data for MD simulations of P450 decarboxylases

Year: 2024

Type: article

Abstract: This repository contains: Initial and final structures for all systems/replicas presented in the manuscript; Topologies and index files for each system; MD parameter (.mdp) files for the production run; The charmm36 forcefield parameter set. All simulations were performed using Gromacs 2022.3.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.14265677

Author: Colombari, Felippe

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: W6911770667

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