PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences
Martin Buttenschoen(University of Oxford), Charlotte M. Deane(Oxford Research Group)
Cited by 303
Related Papers
HOMSTRAD: A database of protein structure alignments for homologous families
|Protein Science|1998|510
Deep Generative Models for 3D Linker Design
|Journal of Chemical Information and Modeling|2020|266
Protein Family-Specific Models Using Deep Neural Networks and Transfer Learning Improve Virtual Screening and Highlight the Need for More Data
|Journal of Chemical Information and Modeling|2018|138
Deep generative design with 3D pharmacophoric constraints
|Chemical Science|2021|110
Generating property-matched decoy molecules using deep learning
|Bioinformatics|2021|96