Pieter H Bos

8PUBLICATIONS
18CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsComputational chemistryMolecular targetsBiomolecular modelling and designFree radical chemistry
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Publications (8)

|Apr 08, 2026
Structure-Based Discovery of Imidazo[4,5-c]pyridine SARM1 Modulators Showing Paradoxical Activation.

Steven K Albanese, Brittany E Hopkins, Andrea M Olland

|Aug 26, 2025
Harnessing free energy calculations for kinome-wide selectivity in drug discovery campaigns with a Wee1 case study.

Jennifer Lynn Knight, Anthony J Clark, Jiashi Wang

|Dec 12, 2024
Discovery of a Novel Mutant-Selective Epidermal Growth Factor Receptor Inhibitor Using an In Silico Enabled Drug Discovery Platform.

Hideyuki Igawa, Zef A Konst, Eric Therrien

|Oct 03, 2024
AutoDesigner - Core Design, a De Novo Design Algorithm for Chemical Scaffolds: Application to the Design and Synthesis of Novel Selective Wee1 Inhibitors.

Pieter H Bos, Fabio Ranalli, Emelie Flood

|Apr 13, 2022
AutoDesigner, a De Novo Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization: Application to the Design and Synthesis of d-Amino Acid Oxidase Inhibitors.

Pieter H Bos, Evelyne M Houang, Fabio Ranalli

|Jun 03, 2020
Combining Cloud-Based Free-Energy Calculations, Synthetically Aware Enumerations, and Goal-Directed Generative Machine Learning for Rapid Large-Scale Chemical Exploration and Optimization.

Phani Ghanakota, Pieter H Bos, Kyle D Konze

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Frequent Collaborators

5 joint publications

Sathesh Bhat

2 joint publications

Aleksey I Gerasyuto

2 joint publications

Jeffrey A Bell

1 joint publications

Vadim V Shmanai