Sathesh Bhat

7PUBLICATIONS
14CO-AUTHORS
Molecular targetsBiomolecular modelling and designChemical and thermal processes in energy and combustionCheminformatics and quantitative structure-activity relationshipsComputational chemistry
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Publications (7)

|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

|Aug 18, 2023
FEP Protocol Builder: Optimization of Free Energy Perturbation Protocols Using Active Learning.

César de Oliveira, Karl Leswing, Shulu Feng

|Apr 28, 2022
Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform.

Haifeng Tang, Kristian Jensen, Evelyne Houang

|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

Pieter H Bos

2 joint publications

Haifeng Tang

2 joint publications

Jeffrey A Bell

1 joint publications

Phani Ghanakota