Molecular Dynamics trajectory for ADK double mutant (V135G, V142G) - chain A in XTC format

Name: Molecular Dynamics trajectory for ADK double mutant (V135G, V142G) - chain A in XTC format
Published: 2025-02-12T09:36:09+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: Molecular Dynamics Simulations

dataset

posted on 2025-02-12, 09:36 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 4AKE. Mutations were inserted using PyRosetta. Simulation was run using GROMACS 2022.4 with the AMBER ff99SB*-ILDN force field. The file contains 50000 frames recorded every 20 ps.