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Biorxiv : the Preprint Server for Biology|July 15, 2025
Simpatico: accurate and ultra-fast virtual drug screening with atomic embeddingsJeremiah Gaiser, Travis J Wheeler
Pharmaceuticals (Basel, Switzerland)|August 29, 2024
Do Molecular Fingerprints Identify Diverse Active Drugs in Large-Scale Virtual Screening? (No)Vishwesh Venkatraman, Jeremiah Gaiser, Daphne Demekas, et al.
Frontiers in Pharmacology|May 13, 2022
Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein TargetsVishwesh Venkatraman, Thomas H Colligan, George T Lesica, et al.
Science Signaling|May 24, 2018
Integration of protein phosphorylation, acetylation, and methylation data sets to outline lung cancer signaling networksMark Grimes, Benjamin Hall, Lauren Foltz, et al.
Molecular Informatics|October 13, 2023
A community effort in SARS-CoV-2 drug discoveryJohannes Schimunek, Philipp Seidl, Katarina Elez, et al.
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