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ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2023
License: CC BY
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
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Claim

Computational design of the temperature optimum of an enzyme reaction

Research datakeyboard_double_arrow_right Dataset 16 Mar 2023Publisher:Zenodo
Authors: Van Der Ent, Florian; Skagseth, Susann; Lund, Bjarte; Soçan, Jaka; Griese, Julia; Brandsdal, Bjørn O.; Åqvist, Johan;

doi: 10.5281/zenodo.7741256 , 10.5281/zenodo.7741255

Computational design of the temperature optimum of an enzyme reaction

Abstract

This repository accompanies the following publication: (added upon publication) EVB.zip contains input files for simulations performed with Q. It contains a topology file, a fep file and a input files used to perform minimization, equilibration and FEP/EVB simulations on a psychrophilic amylase. The version of Q used in this research is also available on Zenodo: 10.5281/zenodo.7940182 Fig_2.zip contains raw data and python code used to generate the subplots shown in figure 2 in the publication. The python code is in the form of an ipython notebook.

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Molecular dynamics, Dataset

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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.
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influence
This indicator 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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impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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