Pauling AI Blog

How we programmed our latest hire

Writing an executive assistant from scratch

Mar 31 • Javier Tordable

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The Problem with Docking Scores in Drug Discovery

Everyone in drug discovery talks about docking scores. Investors ask about them. Pitch decks are built around them. LinkedIn posts celebrate them.

Mar 26

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ChatGPT Will Not Find Your Next Cancer Drug

Everyone in pharma is talking about AI, but nobody is asking the right question.

Mar 10 • Javier Tordable

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Vibe Docking

If vibe coding is coding for non-coders, what do we call docking for non-computational chemists?

Mar 7 • Javier Tordable

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The End of Manual MD Simulations: How AI Agents Are Automating GROMACS Workflows

By the Pauling.AI Team.

Mar 3

February 2026

When Cloud Metrics Lie:Our Journey Running Molecular Simulations on Dataflow

By the Pauling.AI Team

Feb 13

January 2026

Small Molecule Drug Discovery for Longevity: Current Breakthroughs and Clinical Pipeline 2025

By The Pauling.AI Team.

Jan 23

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December 2025

AI Docking vs. Traditional Docking: What the 2025 Benchmarks Really Tell Us

By the Pauling.AI Team

Dec 22, 2025 • Antonella Ballestas and Oleksandr Savytskyi

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November 2025

Computational CROs Won't Survive: How Companies Using AI for Drug Discovery Are Winning!

The multi billion dollar computational chemistry CRO market is collapsing faster than anyone predicted.

Nov 5, 2025 • Antonella Ballestas

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October 2025

DRUG DISCOVERY WITHOUT THE HEADACHE

Too many tools, too little interoperability. Cut through license limits, fragile toolchains, and format clashes. The Pauling.AI workflow takes you from…

Oct 7, 2025 • Oleksandr Savytskyi

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August 2025

IF WET LAB VALIDATION IS ESSENTIAL, WHY USE COMPUTATIONAL METHODS IN DRUG DISCOVERY?

Integrating computational and experimental methods in biology and chemistry accelerates drug discovery, reduces costs, and provides deeper molecular…

Aug 6, 2025 • Oleksandr Savytskyi

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One line code change → Save thousands

Benchmarking x86 vs ARM on GCP using a cheminformatics pipeline. One build flag reduced CPU costs by over 50%, with zero changes to application logic.

Aug 4, 2025 • Pablo Villanueva

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