Molecular ML Reading Group (10/25/23): RoseTTAFold All-Atom (Krishna et al., 2023) скачать в хорошем качестве

Molecular ML Reading Group (10/25/23): RoseTTAFold All-Atom (Krishna et al., 2023)

Rohith Krishna, a graduate student in the Baker Lab joins us to present RoseTTAFold All-Atom[1]. This work generalizes the RoseTTA Fold "three-track architecture" to handle non-protein molecules. They then use this for a range of different applications including re-training RFDiffusion to enable predicting ligand and cofactor binding. [1] Generalized Biomolecular Modeling and Design with RoseTTAFold All-Atom Rohith Krishna, Jue Wang, Woody Ahern, Pascal Sturmfels, Preetham Venkatesh, Indrek Kalvet, Gyu Rie Lee, Felix S Morey-Burrows, Ivan Anishchenko, Ian R Humphreys, Ryan McHugh, Dionne Vafeados, Xinting Li, George A Sutherland, Andrew Hitchcock, C Neil Hunter, Minkyung Baek, Frank DiMaio, David Baker doi: https://doi.org/10.1101/2023.10.09.56...