J Chem Inf Model October 2021 PMID 34595915

Making it Rain: Cloud-Based Molecular Simulations for Everyone.

Pablo R Arantes, Marcelo D Polêto, Conrado Pedebos, Rodrigo Ligabue-Braun

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Mentions

Peak: 22 in Oct 2021

across 3 sources since Aug 2021

Extended reach

159,926

potential audience

Total likes

247

Video views

1,170

Mentions per month

Aug 2021 – Dec 2025

Where it's discussed

X / Twitter71 posts
YouTube3 videos
Bluesky2 posts

AI synopsis

What people are saying

The discussions are mostly positive, emphasizing how the publication democratizes molecular simulations by making them accessible via cloud computing. Words like 'support,' 'inspiration,' and 'great' reflect enthusiasm, while mentions of helping low-income research groups highlight perceived social impact, though overall engagement remains moderate.

AgreementModerate agreement

Most discussions show positive reactions and support for the paper, highlighting its usefulness and potential, though some express general enthusiasm rather than deep consensus.

InterestHigh interest

The majority of posts demonstrate high curiosity and excitement about the cloud-based approach to molecular simulations, with several references to the paper and associated resources.

EngagementModerate engagement

Posts vary from simple acknowledgments to mentions of personal experiences and further media like podcasts, indicating moderate active participation.

ImpactModerate impact

The enthusiastic responses about accessibility and the potential influence on low-income research groups suggest a notable, though not transformative, impact.

Abstract in brief

Developed a user-friendly front-end for conducting molecular dynamics simulations with OpenMM on Google Colab.
Aims to promote cloud-computing for educational purposes, enabling hands-on learning of MD simulations.
Supports low-income research groups by allowing them to perform microsecond-scale MD simulations effectively.

Read the full abstract

All mentions

Molecular Dynamics of Claudin 6 Antigen Antibody Complex Analysis

This video explores molecular modeling and dynamic simulations of the Claudin 6 antigen-antibody complex. Using advanced software like VMD and NAMD, it demonstrates simulating large biological structures and discusses…

LabPsycho · Aug 10, 2023 276 views

Molecular Dynamics Study of Cdk9 Inhibition by KB-0742 Using Simulations

This video explores molecular modeling and dynamic simulations of KB-0742 targeting Cdk9 kinase, using VMD, NAMD, OpenMM, and Google Colab. The study highlights the role of halogen bonds in achieving selective…

LabPsycho · Jul 25, 2023 240 views

Molecular Dynamics Simulation of Claudin 6 Antigen Antibody Complex for Cancer Therapy

This video demonstrates molecular dynamic simulations of the Claudin 6 antigen antibody complex, utilizing computational chemistry methods, protein structure prediction, and GPU-accelerated platforms for insights into…

LabPsycho · Aug 11, 2023 224 views

Molecular Dynamics Simulation of CDK9 with SLS Inhibitor Unveils Binding Behavior

LabPsycho · Nov 7, 2023 192 views

Molecular Dynamics Simulation of Zotatifin–eIF4A–RNA Complex

Brief molecular dynamic simulation of a hypothesized Zotatifin-eIF4A-Polypurine RNA complex. Zotatifin, an eIF4A helicase inhibitor in clinical trials, was modeled with initial conditions including Roca binding and…

LabPsycho · Nov 12, 2023 174 views

Molecular Dynamics Simulation of Telomerase-Related DNA Complexes

This brief molecular dynamics simulation investigates 2Deoxy6Thioguanosine Phosphate's interaction with telomerase and telomeric DNA, using software like VMD, NAMD, and OpenMM to model and analyze the complex's…

LabPsycho · Dec 28, 2025 65 views

Ariane Nunes Alves

@anunesalves · X

RT @pablitoarantes: We're on a mission to share the power of our notebook far and wide. Big thanks for the support. Keep making it rain! An…

Mar 24, 2024 · 4 shares · 5,285 followers View post →

Haley (she/her)

@Halesbaabbyyy · X

RT @pablitoarantes: We're on a mission to share the power of our notebook far and wide. Big thanks for the support. Keep making it rain! An…

Mar 23, 2024 · 4 shares · 293 followers View post →

Pablo Arantes - @pabloarantes.bsky.social

@pablitoarantes · X

We're on a mission to share the power of our notebook far and wide. Big thanks for the support. Keep making it rain! And for the avid readers: Here's our paper

Mar 23, 2024 · 12 likes · 4 shares · 661 followers View post →

叢雲くすり (創薬ちゃん)

@souyakuchan · X

RT @HattoriLab: @kobnaoya Making it Rain: Cloud-Based Molecular Simulations for Everyone | Journal of Chemical Information and Modeling ht…

Jan 24, 2024 · 1 share · 10,247 followers View post →

Motoyuki Hattori (服部素之)

@HattoriLab · X

@kobnaoya Making it Rain: Cloud-Based Molecular Simulations for Everyone | Journal of Chemical Information and Modeling https://t.co/jyADsFE38s Colab notebook https://t.co/z7rdTLC70h

Jan 24, 2024 · 7 likes · 1 share · 1,788 followers View post →

LabPsycho

@LabPsych0 · X

Molecular Dynamic Simulation of A Hypothetical Ensemble of Zotatifin–eIF... https://t.co/bAMv9lyrzC via @YouTube

Nov 11, 2023 · 21 followers View post →

Ozzy

@Ozzy_TX · X

@MLehrPHL Molecular Dynamic Simulations of Claudin 6 Antigen Antibody Complex https://t.co/IFxcxZKGs9

Aug 10, 2023 · 223 followers View post →

yaqinkdr

@yaqinkdr · X

One of them for me is "Making it rain" by Arantes et. Al. Thank you for letting my laptop rest when my univ HPC was crowded and my research needed to continue. https://t.co/o1h1Rtgx7x https://t.co/B6dN7KkEu3

Aug 10, 2023 · 1 like · 150 followers View post →

Horacio Pérez Sánchez

@horacio_ps · X

RT @MWNautilus: #CompChem: Very helpful webtool making #MolecularDynamics #simulations broadly accessible via #Colab #CloudComputing: https…

Jun 21, 2023 · 5 shares · 2,417 followers View post →

ⓘ ⓗ ⓢ ⓐ ⓝ

@ihsanul_arief · X

Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/tX8rGmsuLT

May 4, 2023 · 268 followers View post →

Paul Robustelli

@PaulRobustelli · X

@pablitoarantes @DartmouthChem Thank you! Your paper and repo for cloud simulations was one of the main inspirations that got me started and made me abandon linux for the class! You might recognize a little bit of the code and the set up in some noteboks :) https://t.co/1jBM7bufp5 https://t.co/nQvoPLzfy0

Sep 14, 2022 · 5 likes · 3,486 followers View post →

Mozarte

@supermozart · X

@H__Spinner @pillar_vc https://t.co/ujS0EBVZ0n

Aug 3, 2022 · 3 likes · 40 followers View post →

Horacio Pérez Sánchez

@horacio_ps · X

RT @MWNautilus: #CompChem: Very helpful webtool making #MolecularDynamics #simulations broadly accessible via #Colab #CloudComputing: https…

May 17, 2022 · 5 shares · 2,417 followers View post →

Bioinformatics Trends 

@BinfoTrends · X

RT @MWNautilus: #CompChem: Very helpful webtool making #MolecularDynamics #simulations broadly accessible via #Colab #CloudComputing: https…

May 17, 2022 · 5 shares · 8,157 followers View post →

Pablo Arantes - @pabloarantes.bsky.social

@pablitoarantes · X

RT @MWNautilus: #CompChem: Very helpful webtool making #MolecularDynamics #simulations broadly accessible via #Colab #CloudComputing: https…

May 17, 2022 · 5 shares · 661 followers View post →

CompChemBio Bot

@CompChemBioBot · X

RT @MWNautilus: #CompChem: Very helpful webtool making #MolecularDynamics #simulations broadly accessible via #Colab #CloudComputing: https…

May 17, 2022 · 5 shares · 2,762 followers View post →

Bose-Einstein-Kondensat

@MWNautilus · X

#CompChem: Very helpful webtool making #MolecularDynamics #simulations broadly accessible via #Colab #CloudComputing: https://t.co/nV2oto06B7 Listen to a #podcast by @horacio_ps featuring the author @pablitoarantes: https://t.co/bzRagtnu60 #MD #AMBER #CHARMM #OpenMM #GROMACS https://t.co/SMfIam05aw

May 17, 2022 · 10 likes · 5 shares · 1,744 followers View post →

Stovetops

@CheshireScat528 · X

RT @rlebron_bioinfo: Making it rain: cloud-based molecular simulations for everyone https://t.co/BreqBTdUfJ

May 6, 2022 · 1 share · 107 followers View post →

NonLocalityGuy

@NonLocalityGuy · X

RT @yamnor: Google Colab で MD ➡︎ Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/8KW8KK9CSx

Apr 1, 2022 · 10 shares · 1,738 followers View post →

Stovetops

@CheshireScat528 · X

RT @yamnor: Google Colab で MD ➡︎ Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/8KW8KK9CSx

Apr 1, 2022 · 10 shares · 107 followers View post →

Pablo Arantes - @pabloarantes.bsky.social

@pablitoarantes · X

Thank you for your support, and we hope to see you again… Make it rain, folks... ;-) Check out the paper at: https://t.co/Q9qFoguUcR Credits @mdpoleto @ConradoPedebos @ligabue_braun https://t.co/rAszebN2Ht

Mar 19, 2022 · 2 likes · 661 followers View post →

Kawano Lab. (東京農工大学川野研究室)

@KawanoLab__tuat · X

RT @ryotaiino: Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/MApVWrEYpB Google CouldでMD計算をお試し！ーMaking it rain…

Jan 18, 2022 · 1 share · 1,177 followers View post →

Ryota IINO 飯野亮太

@ryotaiino · X

Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/MApVWrEYpB Google CouldでMD計算をお試し！ーMaking it rainー - magattacaのブログ https://t.co/n4izO46lfb

Jan 18, 2022 · 10 likes · 1 share · 6,431 followers View post →

Horacio Pérez Sánchez

@horacio_ps · X

RT @horacio_ps: Recording can be found in our podcast's last episode here: https://t.co/LjAQggPDry

Dec 11, 2021 · 1 share · 2,417 followers View post →

Horacio Pérez Sánchez

@horacio_ps · X

RT @horacio_ps: New podcast episode about our journal club recording with @pablitoarantes in order to discuss about his last great paper @J…

Dec 6, 2021 · 7 shares · 2,417 followers View post →

Hugo Verli

@hugo_verli · X

RT @horacio_ps: New podcast episode about our journal club recording with @pablitoarantes in order to discuss about his last great paper @J…

Dec 6, 2021 · 7 shares · 244 followers View post →

Artur Góra

@_artgora · X

RT @horacio_ps: New podcast episode about our journal club recording with @pablitoarantes in order to discuss about his last great paper @J…

Dec 5, 2021 · 7 shares · 1,872 followers View post →

Mateo Mojica

@Dirac_euler · X

RT @horacio_ps: Journal club today 22:30 Spain time with Pablo Arantes @pablitoarantes in order to discuss about his last great paper JCIM…

Dec 5, 2021 · 4 shares · 179 followers View post →

Mateo Mojica

@Dirac_euler · X

RT @horacio_ps: New podcast episode about our journal club recording with @pablitoarantes in order to discuss about his last great paper @J…

Dec 5, 2021 · 7 shares · 179 followers View post →

JCIM & JCTC Journals

@JCIM_JCTC · X

RT @horacio_ps: New podcast episode about our journal club recording with @pablitoarantes in order to discuss about his last great paper @J…

Dec 5, 2021 · 7 shares · 9,924 followers View post →

Pablo Arantes - @pabloarantes.bsky.social

@pablitoarantes · X

RT @horacio_ps: New podcast episode about our journal club recording with @pablitoarantes in order to discuss about his last great paper @J…

Dec 5, 2021 · 7 shares · 661 followers View post →

Horacio Pérez Sánchez

@horacio_ps · X

Dec 5, 2021 · 16 likes · 7 shares · 2,417 followers View post →

Horacio Pérez Sánchez

@horacio_ps · X

Recording can be found in our podcast's last episode here: https://t.co/LjAQggPDry

Dec 5, 2021 · 1 like · 1 share · 2,417 followers View post →

JCIM & JCTC Journals

@JCIM_JCTC · X

RT @horacio_ps: Journal club today 22:30 Spain time with Pablo Arantes @pablitoarantes in order to discuss about his last great paper JCIM…

Dec 2, 2021 · 4 shares · 9,924 followers View post →

Hugo Verli

@hugo_verli · X

RT @horacio_ps: Journal club today 22:30 Spain time with Pablo Arantes @pablitoarantes in order to discuss about his last great paper JCIM…

Dec 1, 2021 · 4 shares · 244 followers View post →

Melchor

@melsanm · X

RT @horacio_ps: Journal club today 22:30 Spain time with Pablo Arantes @pablitoarantes in order to discuss about his last great paper JCIM…

Dec 1, 2021 · 4 shares · 759 followers View post →

Horacio Pérez Sánchez

@horacio_ps · X

Dec 1, 2021 · 19 likes · 4 shares · 2,417 followers View post →

部品（吉岡里帆）

@tjmlab · X

RT @yamnor: Google Colab で MD ➡︎ Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/8KW8KK9CSx

Nov 21, 2021 · 10 shares · 13,363 followers View post →

Toyota_Group_Komaba

@KomaToug · X

RT @yamnor: Google Colab で MD ➡︎ Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/8KW8KK9CSx

Nov 21, 2021 · 10 shares · 671 followers View post →

Carlos Alvarez

@Carlos_AlvarezQ · X

RT @yamnor: Google Colab で MD ➡︎ Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/8KW8KK9CSx

Nov 21, 2021 · 10 shares · 148 followers View post →

S. Yoshimoto

@Yoshimotobacter · X

RT @yamnor: Google Colab で MD ➡︎ Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/8KW8KK9CSx

Nov 21, 2021 · 10 shares · 551 followers View post →

ノブ＠化学者／研究者の生き方を考える

@chemordie · X

RT @yamnor: Google Colab で MD ➡︎ Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/8KW8KK9CSx

Nov 21, 2021 · 10 shares · 6,799 followers View post →

Naoya KOBAYASHI

@kobnaoya · X

RT @yamnor: Google Colab で MD ➡︎ Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/8KW8KK9CSx

Nov 21, 2021 · 10 shares · 1,206 followers View post →

Masakazu Sekijima

@m_sekijima · X

RT @yamnor: Google Colab で MD ➡︎ Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/8KW8KK9CSx

Nov 21, 2021 · 10 shares · 6,363 followers View post →

Hiroshi Fujisaki

@hiro2fuji · X

RT @yamnor: Google Colab で MD ➡︎ Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/8KW8KK9CSx

Nov 21, 2021 · 10 shares · 545 followers View post →

山本典史 | Nori Yamamoto

@yamnor · X

Google Colab で MD ➡︎ Making it Rain: Cloud-Based Molecular Simulations for Everyone https://t.co/8KW8KK9CSx

Nov 21, 2021 · 47 likes · 10 shares · 1,345 followers View post →

Dr. Hugo Esquivel

@jaguarhess · X