Tommaso Corti·May 22I Spent a Week Running Quantum Algorithms on a Drug Discovery Problem. Here’s What I Learned.I have been following quantum optimization algorithms for a while (QAOA, VQE, quantum annealing,…) at a theoretical level. The math is…A response icon1
Y.J. Chen·May 16Breaking the Academic Cage: A $170k (NT$5.4M) Virtual Screening PipelineA response icon1
Shreyasree G·Jun 9, 2025How AutoDock Vina Rewrote the Rules of Molecular DockingMolecular drug discovery is no longer confined to wet labs. With the explosion of structural biology data and computational power, virtual…
Mykola Protopopov·Sep 5, 2024FeatureDock: Protein-Ligand Docking Guided by Physicochemical Feature-Based Local Environment…In the realm of computational drug discovery, predicting the interaction between proteins and ligands remains a significant challenge…
Mykola Protopopov·Jun 9, 2024PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to…Classical docking relies on physical and chemical principles to predict interactions, using scoring functions to evaluate binding…
