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Journal of Chemical Theory and Computation|November 24, 2018
Defining an Optimal Metric for the Path Collective VariablesLadislav Hovan, Federico Comitani, Francesco L GervasioJournal of Chemical Theory and Computation|May 20, 2020
Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free EnergiesRhys Evans, Ladislav Hovan, Gareth A Tribello, et al.Bioinformatics (Oxford, England)|June 27, 2025
SPONGE: simple prior omics network GEneratorLadislav Hovan, Marieke L KuijjerJournal of Chemical Theory and Computation|May 18, 2018
Exploring Cryptic Pockets Formation in Targets of Pharmaceutical Interest with SWISHFederico Comitani, Francesco Luigi GervasioBiochemical Society Transactions|April 8, 2015
Elucidating ligand binding and channel gating mechanisms in pentameric ligand-gated ion channels by atomistic simulationsFederico Comitani, Claudio Melis, Carla MolteniBiophysical Journal|September 23, 2022
Nucleus size and its effect on nucleosome stability in living cellsArtem K Efremov, Ladislav Hovan, Jie YanJournal of Chemical Theory and Computation|May 27, 2016
The Free Energy Landscape of GABA Binding to a Pentameric Ligand-Gated Ion Channel and Its Disruption by MutationsFederico Comitani, Vittorio Limongelli, Carla MolteniPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|September 26, 2012
Tunable heat transfer with smart nanofluidsMichele Bernardin, Federico Comitani, Alberto VailatiMethods in Molecular Biology (Clifton, N.J.)|December 21, 2011
Using metadynamics and path collective variables to study ligand binding and induced conformational transitionsNeva Bešker, Francesco L GervasioThe Journal of Physical Chemistry Letters|January 23, 2019
Trans- Cis Proline Switches in a Pentameric Ligand-Gated Ion Channel: How They Are Affected by and How They Affect the Biomolecular EnvironmentAlessandro Crnjar, Federico Comitani, William Hester, et al.Pageof 7