no code implementations • 14 Dec 2023 • Kieran Didi, Francisco Vargas, Simon V Mathis, Vincent Dutordoir, Emile Mathieu, Urszula J Komorowska, Pietro Lio
Many protein design applications, such as binder or enzyme design, require scaffolding a structural motif with high precision.
2 code implementations • 14 Aug 2023 • Charles Harris, Kieran Didi, Arian R. Jamasb, Chaitanya K. Joshi, Simon V. Mathis, Pietro Lio, Tom Blundell
Deep generative models for structure-based drug design (SBDD), where molecule generation is conditioned on a 3D protein pocket, have received considerable interest in recent years.
no code implementations • 23 Dec 2022 • Kieran Didi, Matej Zečević
Research around AI for Science has seen significant success since the rise of deep learning models over the past decade, even with longstanding challenges such as protein structure prediction.