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Amyloid-beta 16-22 peptide monomer simulation (without salt) with the CHARMM-Drude force field and OpenMM (Run 1)

Research datakeyboard_double_arrow_right Dataset 08 Mar 2022Publisher:Zenodo
Authors: Kav, Batuhan;

doi: 10.5281/zenodo.6336693 , 10.5281/zenodo.6526180 , 10.5281/zenodo.6336692 , 10.5281/zenodo.6526179

Amyloid-beta 16-22 peptide monomer simulation (without salt) with the CHARMM-Drude force field and OpenMM (Run 1)

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 first independent simulation runs 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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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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