Published March 1, 2024 | Version v1
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Input files and setup for simulations of Ancestral GH19 chitinases and their mutants

Authors/Creators

  • 1. ROR icon Okinawa Institute of Science and Technology Graduate University

Description

**DESCRIPTION**

Topologies and molecular dynamics files to run simulations of Ancestral GH19 chitinases and their mutants.

parameters file: muout.mdp
Topologies: topol.top
Final outouts: md_out.tpr
Initial structures: Protein_name.PDB

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Files

MDfiles.zip

Files (199.6 MB)

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md5:74c9765433340f5d83289a2cd95e41db
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Additional details

Related works

Is supplement to
Preprint: 10.1101/2023.02.27.530148 (DOI)

References