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Tag Archives: Abe Heifets

February 22, 2022

Sold on the New Machine

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October 29, 2024

NGT: Generative AI with Synthesizability Guarantees Discovers MC2R Inhibitors from a Tera-Scale Virtual Screen

Saulo H. P de Oliveira, Aryan Pedawi, Victor Kenyon, Henry van den Bedem
April 2, 2024

AI is a viable alternative to high throughput screening: a 318-target study

The Atomwise AIMS Program
April 13, 2023

Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors

Artur Meller, Saulo De Oliveira, Aram Davtyan, Tigran Abramyan, Gregory R Bowman, Henry van den Bedem
October 19, 2022

An efficient graph generative model for navigating ultra-large combinatorial synthesis libraries

Aryan Pedawi, Pawel Gniewek, Chaoyi Chang, Brandon Anderson, Henry van den Bedem
March 2, 2022

AtomNet PoseRanker: Enriching Ligand Pose Quality for Dynamic Proteins in Virtual High-Throughput Screens

Kate A. Stafford, Brandon M. Anderson, Jon Sorenson, and Henry van den Bedem*

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