Pauling AI Blog

A multi-stage docking workflow, and why regular docking needs structure

By the Pauling.AI Team

Jul 6

3

The Tooling Belongs to Tech. The Breakthroughs Belong to Startups.

About Claude Science

Jul 1 • Javier Tordable

3

June 2026

Running MD simulations with membrane proteins

By the Pauling.AI Team

Jun 17

2

Designing for Selectivity: Counter-Screening Against JAK2 V617F

By Pauling.AI Team.

Jun 4

1

Computational Chemistry Is Not Deterministic. Neither Is the Rest of Science.

Why Enrichment Factor is the right metric

Jun 2 • Javier Tordable

2

May 2026

From a UniProt ID to Ranked Hits: A Complete Walkthrough of Autochem's Docking Pipeline

By Pauling.AI Team.

May 25

3

March 2026

How we programmed our latest hire

Writing an executive assistant from scratch

Mar 31 • Javier Tordable

2

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

1

1

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

3

1

Vibe Docking

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

Mar 7 • Javier Tordable

4

3

1

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