Examinant per Autoria "Majewski, Maciej"
Resultats per pàgina
Opcions d'ordenació
Ítem Accés Obert Machine learning coarse-grained potentials of protein thermodynamics(Nature Research, 2023) Majewski, Maciej; Pérez, Adrià; Thölke, Philipp; Doerr, Stefan, 1987-; Charron, Nicholas E.; Giorgino, Toni; Husic, Brooke E.; Clementi, Cecilia; Noé, Frank; De Fabritiis, Gianni
Ítem Accés Obert PlayMolecule glimpse: understanding protein-ligand property predictions with interpretable neural networks(American Chemical Society (ACS), 2022) Varela-Rial, Alejandro; Maryanow, Iain; Majewski, Maciej; Doerr, Stefan, 1987-; Schapin, Nikolai; Jiménez Luna, José, 1993-; De Fabritiis, Gianni
Ítem Accés Obert Top-down machine learning of coarse-grained protein force fields(American Chemical Society (ACS), 2023) Navarro Ramírez, Carles; Majewski, Maciej; De Fabritiis, Gianni
Ítem Accés Obert TorchMD: a deep learning framework for molecular simulations(American Chemical Society (ACS), 2021) Doerr, Stefan, 1987-; Majewski, Maciej; Pérez, Adrià; Krämer, Andreas; Clementi, Cecilia; Noé, Frank; Giorgino, Toni; De Fabritiis, Gianni
Ítem Accés Obert Validation of the alchemical transfer method for the estimation of relative binding affinities of molecular series(American Chemical Society (ACS), 2023) Sabanés Zariquiey, Francesc; Pérez, Adrià; Majewski, Maciej; Gallicchio, Emilio; De Fabritiis, Gianni