( en | de | ru )

 

Disambiguation of "Limongelli, Vittorio"

Author of the publication

copydeleteadd this publication to your clipboard
HEroBM: a deep equivariant graph neural network for universal backmapping from coarse-grained to all-atom representations.

, , and . CoRR, (2024)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Vittorio Saggiomo

Vittorio Prada

Vittorio Cardano

Vittorio Marelli

Vittorio Bellotti

 

Other publications of authors with the same name

Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition., , , , , , and . Proceedings of the National Academy of Sciences, 107 (12): 5411-5416 (2010)Discovery of Bile Acid Derivatives as Potent ACE2 Activators by Virtual Screening and Essential Dynamics., , , , , , , , , and 1 other author(s). J. Chem. Inf. Model., 62 (1): 196-209 (2022)HEroBM: a deep equivariant graph neural network for universal backmapping from coarse-grained to all-atom representations., , and . CoRR, (2024)Kinetics of protein–ligand unbinding: Predicting pathways, rates, and rate-limiting steps, , , and . Proceedings of the National academy of Sciences of the United States of America, 112 (5): E386-E391 (2015)Funnel metadynamics as accurate binding free-energy method, , and . Proceedings of the National academy of Sciences of the United States of America, 110 (16): 6358-6363 (2013)Ligand binding free energy and kinetics calculation in 2020. Wiley Interdisciplinary Reviews: Computational Molecular Science, (2019)Unbinding kinetics of a p38 MAP kinase type II inhibitor from metadynamics simulations, , , , and . Journal of the American Chemical Society, (2017)PMID: 28290199.The Molecular Mechanism Underlying Ligand Binding to the Membrane-Embedded Site of a G-Protein-Coupled Receptor, , , and . Journal of Chemical Theory and Computation, 14 (5): 2761-2770 (April 2018)