Toni Sivula, Laxman Yetukuri, Tuomo Kalliokoski, Heikki Käsnänen, Antti Poso, Ina Pöhner. Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries. Journal of Chemical Information and Computer Sciences, 63(18):5773-5783, September 2023. [doi]
Abstract is missing.