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Disambiguation of "Limongelli, Vittorio"

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Ligand binding free energy and kinetics calculation in 2020

. Wiley Interdisciplinary Reviews: Computational Molecular Science, (2019)

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Vittorio Saggiomo

Vittorio Cardano

Vittorio Prada

Vittorio Marelli

Vittorio Bellotti

 

Other publications of authors with the same name

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)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)Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition., , , , , , and . Proceedings of the National Academy of Sciences, 107 (12): 5411-5416 (2010)HEroBM: a deep equivariant graph neural network for universal backmapping from coarse-grained to all-atom representations., , and . CoRR, (2024)Ligand binding free energy and kinetics calculation in 2020. Wiley Interdisciplinary Reviews: Computational Molecular Science, (2019)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)Transferring Chemical and Energetic Knowledge Between Molecular Systems with Machine Learning., , , and . CoRR, (2022)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)DDT - Drug Discovery Tool: a fast and intuitive graphics user interface for docking and molecular dynamics analysis., , , and . Bioinform., 35 (24): 5328-5330 (2019)