Molecular Dynamics trajectory for Bacteriocin Plantaracin E peptide (plnE) - chain A in XTC format

Name: Molecular Dynamics trajectory for Bacteriocin Plantaracin E peptide (plnE) - chain A in XTC format
Published: 2025-06-10T08:20:18+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: Molecular Dynamics simulations

dataset

posted on 2025-06-10, 08:20 authored by Alessandro PandiniAlessandro Pandini, Ferdoos Hossein NezhadFerdoos Hossein Nezhad, Namir Oues, Massimiliano MeliMassimiliano Meli

Molecular Dynamics trajectory in XTC format. Original wild-type structure from PDBID 2JUI. Simulation was run using Amber 22 with f14SB force field. The file contains 70000 frames recorded every 10 ps.

Funding

DTP 2020-2021 Brunel University London

Engineering and Physical Sciences Research Council

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HECBioSim: The UK High End Computing Consortium for Biomolecular Simulation.

Engineering and Physical Sciences Research Council

Find out more...

Molecular Dynamics trajectory for Bacteriocin Plantaracin E peptide (plnE) - chain A in XTC format

Funding

DTP 2020-2021 Brunel University London

HECBioSim: The UK High End Computing Consortium for Biomolecular Simulation.

IEC\R2\242053 Royal Society International Exchanges 2024

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