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Davide Mandelli

Showing results (11-20 of 24) with videos related to

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PNAS Nexus|April 26, 2024
Effective data-driven collective variables for free energy calculations from metadynamics of pathsLukas Müllender, Andrea Rizzi, Michele Parrinello, et al.
Frontiers in Molecular Biosciences|June 27, 2022
Enhanced-Sampling Simulations for the Estimation of Ligand Binding Kinetics: Current Status and PerspectiveKatya Ahmad, Andrea Rizzi, Riccardo Capelli, et al.
Nature Materials|August 1, 2018
Robust microscale superlubricity in graphite/hexagonal boron nitride layered heterojunctionsYiming Song, Davide Mandelli, Oded Hod, et al.
The Journal of Chemical Physics|November 4, 2025
Fine tuning of long-range interactions to describe the binding of adamantane and diamantane derivatives to a Cucurbit[7]uril-based synthetic receptor: Insights from metadynamics simulationsAmal Vijay, Giacomo Salvadori, Frank Biedermann, et al.
Nanoscale|January 7, 2015
Static friction scaling of physisorbed islands: the key is in the edgeNicola Varini, Andrea Vanossi, Roberto Guerra, et al.
Journal of Inorganic Biochemistry|October 25, 2023
Kinetic and structural details of urease inactivation by thiuram disulphidesLuca Mazzei, Arundhati Paul, Michele Cianci, et al.
Journal of Chemical Theory and Computation|December 10, 2019
Mechanical and Tribological Properties of Layered Materials under High Pressure: Assessing the Importance of Many-Body Dispersion EffectsWengen Ouyang, Ido Azuri, Davide Mandelli, et al.
Spine|August 19, 2008
Greater peripheral blood flow but less bleeding with propofol versus sevoflurane during spine surgery: a possible physiologic model?Andrea Albertin, Luca La Colla, Azzurra Gandolfi, et al.
Biophysical Journal|February 22, 2026
Protonation-dependent substrate release in a bacterial homolog of vesicular glutamateCharles Plate, Natalia Dmitrieva, Samira Gholami, et al.
Journal of Chemical Information and Modeling|February 20, 2026
MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC SimulationsSachin Shivakumar, Giorgia Frumenzio, Francesco Musiani, et al.
Pageof 3

Showing results (11-20 of 24) with videos related to

Sort By:
Pageof 3
PNAS Nexus|April 26, 2024
Effective data-driven collective variables for free energy calculations from metadynamics of pathsLukas Müllender, Andrea Rizzi, Michele Parrinello, et al.
Frontiers in Molecular Biosciences|June 27, 2022
Enhanced-Sampling Simulations for the Estimation of Ligand Binding Kinetics: Current Status and PerspectiveKatya Ahmad, Andrea Rizzi, Riccardo Capelli, et al.
Nature Materials|August 1, 2018
Robust microscale superlubricity in graphite/hexagonal boron nitride layered heterojunctionsYiming Song, Davide Mandelli, Oded Hod, et al.
The Journal of Chemical Physics|November 4, 2025
Fine tuning of long-range interactions to describe the binding of adamantane and diamantane derivatives to a Cucurbit[7]uril-based synthetic receptor: Insights from metadynamics simulationsAmal Vijay, Giacomo Salvadori, Frank Biedermann, et al.
Nanoscale|January 7, 2015
Static friction scaling of physisorbed islands: the key is in the edgeNicola Varini, Andrea Vanossi, Roberto Guerra, et al.
Journal of Inorganic Biochemistry|October 25, 2023
Kinetic and structural details of urease inactivation by thiuram disulphidesLuca Mazzei, Arundhati Paul, Michele Cianci, et al.
Journal of Chemical Theory and Computation|December 10, 2019
Mechanical and Tribological Properties of Layered Materials under High Pressure: Assessing the Importance of Many-Body Dispersion EffectsWengen Ouyang, Ido Azuri, Davide Mandelli, et al.
Spine|August 19, 2008
Greater peripheral blood flow but less bleeding with propofol versus sevoflurane during spine surgery: a possible physiologic model?Andrea Albertin, Luca La Colla, Azzurra Gandolfi, et al.
Biophysical Journal|February 22, 2026
Protonation-dependent substrate release in a bacterial homolog of vesicular glutamateCharles Plate, Natalia Dmitrieva, Samira Gholami, et al.
Journal of Chemical Information and Modeling|February 20, 2026
MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC SimulationsSachin Shivakumar, Giorgia Frumenzio, Francesco Musiani, et al.
Pageof 3