Tree2C: A Flexible Tool for Enabling Model Deployment with Special Focus on Cheminformatics Applications

by Alessandro Pedretti, Angelica Mazzolari, Silvia Gervasoni, Giulio Vistoli
Published 2020-10-01

Rescoring and Linearly Combining: A Highly Effective Consensus Strategy for Virtual Screening Campaigns

by Alessandro Pedretti, Angelica Mazzolari, Silvia Gervasoni, Giulio Vistoli
Published 2019-04-01

Repositioning Dequalinium as Potent Muscarinic Allosteric Ligand by Combining Virtual Screening Campaigns and Experimental Binding Assays

by Angelica Mazzolari, Silvia Gervasoni, Alessandro Pedretti, Laura Fumagalli, Rosanna Matucci, Giulio Vistoli
Published 2020-08-01

Combining Molecular Dynamics and Docking Simulations to Develop Targeted Protocols for Performing Optimized Virtual Screening Campaigns on The hTRPM8 Channel

by Carmine Talarico, Silvia Gervasoni, Candida Manelfi, Alessandro Pedretti, Giulio Vistoli, Andrea R. Beccari
Published 2020-03-01

A Comprehensive Mapping of the Druggable Cavities within the SARS-CoV-2 Therapeutically Relevant Proteins by Combining Pocket and Docking Searches as Implemented in Pockets 2.0

by Silvia Gervasoni, Giulio Vistoli, Carmine Talarico, Candida Manelfi, Andrea R. Beccari, Gabriel Studer, Gerardo Tauriello, Andrew Mark Waterhouse, Torsten Schwede, Alessandro Pedretti
Published 2020-07-01

Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease

by Candida Manelfi, Jonas Gossen, Silvia Gervasoni, Carmine Talarico, Simone Albani, Benjamin Joseph Philipp, Francesco Musiani, Giulio Vistoli, Giulia Rossetti, Andrea Rosario Beccari, Alessandro Pedretti
Published 2021-02-01