An artificial intelligence accelerated virtual screening platform for drug discovery
G. Zhou, D.-V. Rusnac, H. Park, D. Canzani, H. M. Nguyen, L. Stewart, M. F. Bush, P. T. Nguyen, H. Wulff, V. Yarov-Yarovoy, N. Zheng, F. DiMaio
The paper develops RosettaVS, an AI-accelerated virtual screening platform that identifies drug candidates with high binding affinity across two targets, achieving a 14% and 44% hit rate in under seven days.
bioRxiv · Mar 28, 2024Biochemistry