Examinant per Autoria "Doerr, Stefan, 1987-"
Resultats per pàgina
Opcions d'ordenació
Ítem Accés Obert Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs(Nature Publishing Group, 2018) Ferruz Capapey, Noelia, 1988-; Doerr, Stefan, 1987-; Vanase Frawley, Michelle A.; Zou, Yaozhong; Chen, Xiaomin; Marr, Eric S.; Nelson, Robin T.; Kormos, Bethany L.; Wager, Travis T.; Hou, Xinjun J.; Villalobos, Anabella; Sciabola, Simone; De Fabritiis, Gianni
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 NNP/MM: Accelerating molecular dynamics simulations with machine learning potentials and molecular mechanics(American Chemical Society (ACS), 2023) Galvelis, Raimondas; Varela-Rial, Alejandro; Doerr, Stefan, 1987-; Fino, Roberto; Eastman, Peter; Markland, Thomas E.; Chodera, John D.; 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 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