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Abba Leffler

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Blog Posts

Computational Partnership in Small Molecule Drug Discovery

The real magic happens when chemists can integrate computational models into their assay cascades, thanks to trust in their predictions. To get there, grounding computational predictions in physics and experimental reality makes all the difference.

Redesigning the Rules: How FEP+ Helped Us Design a Differentiated SOS1 Inhibitor

Mutations in the KRAS protein are among the most common drivers of many cancers, including pancreatic, colorectal, and non-small cell lung cancers. KRAS acts as a molecular switch, and when it’s stuck in the “on” position, it drives uncontrolled cell growth.

Abba Leffler

Chemistry, Computation & Neuroscience

Schrödinger

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