Coding for Scientists 002: Data Types and Functions in Python
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The Free Drug Principle: Why Plasma Protein Binding Doesn't Drive Drug Efficacy
Why plasma protein binding doesn't drive efficacy at steady state. Derivation, worked example, and why "design for higher fu" is the wrong design lesson.
Introducing MedChemify: Drug Discovery Education, Reimagined
When we started MoleculeInsight almost two years ago, the idea was to make drug discovery concepts more accessible. We wrote about molecular interactions, hit discovery, how drug discovery programs actually get started, the promise and challenges of molecular glues, and other topics. Every article came from the same place: a
3D World of Molecules
The other day, while driving to work, I listened to a podcast featuring Fei-Fei Li, who recently launched World Labs, a company focused on developing spatial intelligence by building large world models. For those outside the field of AI, Fei-Fei Li is a powerhouse, widely regarded as one of the
Molecular interactions: Dance of Entropy and Enthalpy
In structure-based drug design, it's easy to be misled by the static image of a crystal structure. When aiming to improve the binding between a protein and a synthetic molecule, our natural instinct is often to increase as many hydrogen-bond interactions as possible by adding additional H-bond donors