Accelerating Drug Discovery and Repurposingby Combining Transcriptional Signature Connectivity with Docking
Alexander William Thorman, James K. Reigle, Somchai Chutipongtanate, Juechen Yang, Behrouz Shamsaei, Marcin Pilarczyk, Mehdi Fazel‐Najafabadi, Rafał Adamczak, Michal Kouril, Surbhi Bhatnagar, Sarah A. Hummel, Wen Niu, Ardythe Luxion Morrow, Maria Czyzyk-Krzeska, Robert Erne McCullumsmith, , Jarek Meller
This paper introduces ceSAR, a method combining docking and transcriptional signature connectivity to improve drug discovery and repurposing by reducing false positives and computational costs.
Science Advances · Aug 30, 2024Peer-reviewedBioinformatics