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 …

Computational Methods in Drug Discovery and Development

SY Ugurlu - 2024 - chemrxiv.org
The rapid advancements in computational methods have revolutionized drug discovery and
development. These methods, ranging from molecular modelling to machine learning …