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Amyloid-beta 16-22 peptide monomer simulation (without salt) with the CHARMM-Drude force field and OpenMM (Run 2)

Research datakeyboard_double_arrow_right Dataset 11 Mar 2022Publisher:Zenodo
Authors: Kav, Batuhan;

doi: 10.5281/zenodo.6346262 , 10.5281/zenodo.6618938 , 10.5281/zenodo.6346263 , 10.5281/zenodo.6618937

Amyloid-beta 16-22 peptide monomer simulation (without salt) with the CHARMM-Drude force field and OpenMM (Run 2)

Abstract

Amyloid-beta 16-22 peptide (monomer) simulations with the CHARMM-Drude force field and OpenMM. Initial structures are obtained from CHARMM-GUI. This is the second independent simulation run out of three. The system does not contain any ions. Total trajectory length is 1 microseconds. Frame saving frequency is 10 ps. All the simulation parameters and force field files are uploaded into this repository. Simulations are done with OpenMM v. 7.5.1.

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This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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