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Software . 2021
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ZENODO
Software . 2021
Data sources: Datacite
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Software . 2021
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Making-it-rain

Authors: Pablo R. Arantes; Marcelo D. Polêto; Conrado Pedebos; Rodrigo Ligabue-Braun;

Making-it-rain

Abstract

Making-it-rain Cloud-based molecular simulations for everyone This is a repository where you can find a Jupyter notebook scripts for running Molecular Dynamics (MD) simulations using OpenMM engine and AMBER and CHARMM force fields files on Google Colab. This repository is a supplementary material of the paper "Making it rain: Cloud-based molecular simulations for everyone" and we encourage you to read it before using this pipeline. The main goal of this work is to demonstrate how to harness the power of cloud-computing to run microsecond-long MD simulations in a cheap and yet feasible fashion. Acknowledgments We would like to thank the OpenMM team for developing an excellent and open source engine. We would like to thank the AlphaFold team for developing an excellent model and open sourcing the software. Credit to Sergey Ovchinnikov (@sokrypton), Milot Mirdita (@milot_mirdita) and Martin Steinegger (@thesteinegger) for their fantastic ColabFold A RAIN by Pablo R. Arantes (@pablitoarantes), Marcelo D. Polêto (@mdpoleto), Conrado Pedebos (@ConradoPedebos) and Rodrigo Ligabue-Braun (@ligabue_braun). Also, credit to David Koes for his awesome py3Dmol plugin.

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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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