Open access
Sep 2026
Docking-score landscapes shape active-learning performance across Vina, Glide, and SILCS
This study compares four active-learning virtual screening workflows and suggests that combining active learning with SILCS provides a computationally efficient, membrane-aware approach for screening compounds at transmembrane binding sites.
Joseph Chung, Aashish Bhatt, Jacob Ede Levine et al.
· Journal of Computer-Aided Mo... · 0 citations