Diffusion models in protein structure and docking

J Yim, H Stärk, G Corso, B Jing… - Wiley …, 2024 - Wiley Online Library
Generative AI is rapidly transforming the frontier of research in computational structural
biology. Indeed, recent successes have substantially advanced protein design and drug …

Recent advances in interpretable machine learning using structure-based protein representations

LF Vecchietti, M Lee, B Hangeldiyev, H Jung… - arXiv preprint arXiv …, 2024 - arxiv.org
Recent advancements in machine learning (ML) are transforming the field of structural
biology. For example, AlphaFold, a groundbreaking neural network for protein structure …

[HTML][HTML] Unified Sampling and Ranking for Protein Docking with DFMDock

LS Chu, S Sarma, JJ Gray - bioRxiv, 2024 - pmc.ncbi.nlm.nih.gov
Diffusion models have shown promise in addressing the protein docking problem.
Traditionally, these models are used solely for sampling docked poses, with a separate …