Open access
Sep 2026
Data driven selection of consensus docking pipelines for structure based hit identification
MolDockLab addresses the challenge of structure-based virtual screening with an automated, data-driven framework that optimizes SBVS workflows for a protein target, balancing predictive performance and computational efficiency.
Hamza Agha, Y. Ibrahim, Michael Backenköhler et al.
· npj Drug Discovery · 0 citations