PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences

Buttenschoen M, Morris GM, Deane CM
10 August 2023
preprint
Book Title:
arXiv
No abstract available
Keywords:

4613 Theory Of Computation

,

46 Information and Computing Sciences

,

3404 Medicinal and Biomolecular Chemistry

,

34 Chemical Sciences

,

Networking and Information Technology R&D (NITRD)

,

Machine Learning and Artificial Intelligence

,

Bioengineering

,

Generic health relevance

DOI
10.48550/arxiv.2308.05777