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Stefano Raniolo

Showing results (1-10 of 15) with videos related to

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Nature Protocols|August 21, 2020
Ligand binding free-energy calculations with funnel metadynamicsStefano Raniolo, Vittorio Limongelli
Frontiers in Molecular Biosciences|December 30, 2021
Improving Small-Molecule Force Field Parameters in Ligand Binding StudiesStefano Raniolo, Vittorio Limongelli
The Journal of Chemical Physics|August 19, 2025
HEroBM: A deep equivariant graph neural network for high-fidelity backmapping from coarse-grained to all-atom structuresDaniele Angioletti, Stefano Raniolo, Vittorio Limongelli
Journal of Chemical Theory and Computation|September 1, 2023
Perspectives on Ligand/Protein Binding Kinetics Simulations: Force Fields, Machine Learning, Sampling, and User-FriendlinessPaolo Conflitti, Stefano Raniolo, Vittorio Limongelli
Communications Chemistry|January 25, 2023
Transferring chemical and energetic knowledge between molecular systems with machine learningSajjad Heydari, Stefano Raniolo, Lorenzo Livi, et al.
Bioinformatics (Oxford, England)|July 16, 2019
DDT - Drug Discovery Tool: a fast and intuitive graphics user interface for docking and molecular dynamics analysisSimone Aureli, Daniele Di Marino, Stefano Raniolo, et al.
Journal of Chemical Theory and Computation|April 17, 2018
The Molecular Mechanism Underlying Ligand Binding to the Membrane-Embedded Site of a G-Protein-Coupled ReceptorXiaojing Yuan, Stefano Raniolo, Vittorio Limongelli, et al.
Communications Chemistry|November 7, 2023
Conformational plasticity and allosteric communication networks explain Shelterin protein TPP1 binding to human telomeraseSimone Aureli, Vince Bart Cardenas, Stefano Raniolo, et al.
Journal of Chemical Theory and Computation|September 21, 2019
Ligand Binding, Unbinding, and Allosteric Effects: Deciphering Small-Molecule Modulation of HSP90Ilda D'Annessa, Stefano Raniolo, Vittorio Limongelli, et al.
Journal of Molecular Biology|August 6, 2023
Uracil/H<sup>+</sup> Symport by FurE Refines Aspects of the Rocking-bundle Mechanism of APC-type TransportersIliana Zantza, Yiannis Pyrris, Stefano Raniolo, et al.
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
Nature Protocols|August 21, 2020
Ligand binding free-energy calculations with funnel metadynamicsStefano Raniolo, Vittorio Limongelli
Frontiers in Molecular Biosciences|December 30, 2021
Improving Small-Molecule Force Field Parameters in Ligand Binding StudiesStefano Raniolo, Vittorio Limongelli
The Journal of Chemical Physics|August 19, 2025
HEroBM: A deep equivariant graph neural network for high-fidelity backmapping from coarse-grained to all-atom structuresDaniele Angioletti, Stefano Raniolo, Vittorio Limongelli
Journal of Chemical Theory and Computation|September 1, 2023
Perspectives on Ligand/Protein Binding Kinetics Simulations: Force Fields, Machine Learning, Sampling, and User-FriendlinessPaolo Conflitti, Stefano Raniolo, Vittorio Limongelli
Communications Chemistry|January 25, 2023
Transferring chemical and energetic knowledge between molecular systems with machine learningSajjad Heydari, Stefano Raniolo, Lorenzo Livi, et al.
Bioinformatics (Oxford, England)|July 16, 2019
DDT - Drug Discovery Tool: a fast and intuitive graphics user interface for docking and molecular dynamics analysisSimone Aureli, Daniele Di Marino, Stefano Raniolo, et al.
Journal of Chemical Theory and Computation|April 17, 2018
The Molecular Mechanism Underlying Ligand Binding to the Membrane-Embedded Site of a G-Protein-Coupled ReceptorXiaojing Yuan, Stefano Raniolo, Vittorio Limongelli, et al.
Communications Chemistry|November 7, 2023
Conformational plasticity and allosteric communication networks explain Shelterin protein TPP1 binding to human telomeraseSimone Aureli, Vince Bart Cardenas, Stefano Raniolo, et al.
Journal of Chemical Theory and Computation|September 21, 2019
Ligand Binding, Unbinding, and Allosteric Effects: Deciphering Small-Molecule Modulation of HSP90Ilda D'Annessa, Stefano Raniolo, Vittorio Limongelli, et al.
Journal of Molecular Biology|August 6, 2023
Uracil/H<sup>+</sup> Symport by FurE Refines Aspects of the Rocking-bundle Mechanism of APC-type TransportersIliana Zantza, Yiannis Pyrris, Stefano Raniolo, et al.
Pageof 2