TY - RPRT TI - Towards accurate high-throughput ligand affinity prediction by exploiting structural ensembles, docking metrics and ligand similarity AU - Schneider, M. AU - Pons, J.-L. AU - Bourguet, W. AU - Labesse, G. PY - 2019 DO - 10.1101/574517 UR - https://www.biorxiv.org/content/10.1101/574517v1 ID - 10.1101/574517 ER -