Alessandro Pedretti

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 32

Top Topics

Crystal Structure

Molecular Dynamics

Roux En Y Gastric Bypass

Top Venues

Journal of chemical information and modeling

International journal of molecular sciences

Molecules (Basel, Switzerland)

Scientific data

This page only lists publications with an associated author ORCID identifier.

Publications

Alessio Macorano, Angelica Mazzolari, Giuliano Malloci, Alessandro Pedretti, Vistoli Giulio, Silvia Gervasoni
An improved dataset of force fields, electronic and physicochemical descriptors of metabolic substrates. Scientific data 11 (1) (2024)
Alessio Macorano, Angelica Mazzolari, Giuliano Malloci, Alessandro Pedretti, Vistoli Giulio, Silvia Gervasoni
An improved dataset of force fields, electronic and physicochemical descriptors of metabolic substrates. Scientific data 11 (1) (2024)
Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari, Alessandro Pedretti, Vistoli Giulio, Thierry Langer, Filip Miljković, Johannes Kirchmair
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation. Journal of chemical information and modeling 64 (2) (2024)
Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari, Alessandro Pedretti, Vistoli Giulio, Thierry Langer, Filip Miljković, Johannes Kirchmair
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation. Journal of chemical information and modeling 64 (2) (2024)
Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari, Alessandro Pedretti, Vistoli Giulio, Thierry Langer, Filip Miljković, Johannes Kirchmair
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation. Journal of chemical information and modeling 64 (2) (2024)
Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari, Alessandro Pedretti, Vistoli Giulio, Thierry Langer, Filip Miljković, Johannes Kirchmair
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation. Journal of chemical information and modeling (2024)
Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari, Alessandro Pedretti, Vistoli Giulio, Thierry Langer, Filip Miljković, Johannes Kirchmair
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation. Journal of chemical information and modeling 64 (2) (2024)
Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte, Angelica Mazzolari, Alessandro Pedretti, Vistoli Giulio, Thierry Langer, Filip Miljković, Johannes Kirchmair
Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation. Journal of chemical information and modeling 64 (2) (2024)
Alessio Macorano, Angelica Mazzolari, Giuliano Malloci, Alessandro Pedretti, Vistoli Giulio, Silvia Gervasoni
An improved dataset of force fields, electronic and physicochemical descriptors of metabolic substrates. Scientific data 11 (1) (2024)
Silvia Gervasoni, Candida Manelfi, Sara Adobati, Carmine Talarico, Akash Deep Biswas, Alessandro Pedretti, Vistoli Giulio, Andrea Rosario Beccari
Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative. International journal of molecular sciences 25 (1) (2023)
Angelica Mazzolari, Pietro Perazzoni, Emanuela Sabato, Filippo Lunghini, Andrea Rosario Beccari, Vistoli Giulio, Alessandro Pedretti
MetaSpot: A General Approach for Recognizing the Reactive Atoms Undergoing Metabolic Reactions Based on the MetaQSAR Database. International journal of molecular sciences 24 (13) (2023)
Angelica Artasensi, Angelica Mazzolari, Alessandro Pedretti, Vistoli Giulio, Laura Fumagalli
Obesity and Type 2 Diabetes: Adiposopathy as a Triggering Factor and Therapeutic Options. Molecules (Basel, Switzerland) 28 (7) (2023)
Silvia Gervasoni, Candida Manelfi, Sara Adobati, Carmine Talarico, Akash Deep Biswas, Alessandro Pedretti, Vistoli Giulio, Andrea Rosario Beccari
Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative. International journal of molecular sciences 25 (1) (2023)
Silvia Gervasoni, Candida Manelfi, Sara Adobati, Carmine Talarico, Akash Deep Biswas, Alessandro Pedretti, Vistoli Giulio, Andrea Rosario Beccari
Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative. International journal of molecular sciences 25 (1) (2023)
Silvia Gervasoni, Carmine Talarico, Candida Manelfi, Alessandro Pedretti, Vistoli Giulio, Andrea Rosario Beccari
Extensive Sampling of Molecular Dynamics Simulations to Identify Reliable Protein Structures for Optimized Virtual Screening Studies: The Case of the hTRPM8 Channel. International journal of molecular sciences 23 (14) (2022)
Serena Vittorio, Candida Manelfi, Silvia Gervasoni, Andrea Rosario Beccari, Alessandro Pedretti, Vistoli Giulio, Carmine Talarico
Computational Insights into the Sequence-Activity Relationships of the NGF(1-14) Peptide by Molecular Dynamics Simulations. Cells 11 (18) (2022)
Silvia Gervasoni, James Spencer, Philip Hinchliffe, Alessandro Pedretti, Franco Vairoletti, Graciela Mahler, Adrian J Mulholland
A multiscale approach to predict the binding mode of metallo beta-lactamase inhibitors. Proteins (2021)
Angelica Mazzolari, Alice Scaccabarozzi, Vistoli Giulio, Alessandro Pedretti
MetaClass, a Comprehensive Classification System for Predicting the Occurrence of Metabolic Reactions Based on the MetaQSAR Database. Molecules (Basel, Switzerland) 26 (19) (2021)
Candida Manelfi, Jonas Gossen, Silvia Gervasoni, Carmine Talarico, Simone Albani, Benjamin Joseph Philipp, Francesco Musiani, Vistoli Giulio, Sybille Krauß, Andrea Rosario Beccari, Alessandro Pedretti
Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease. Molecules (Basel, Switzerland) 26 (4) (2021)
Alessandra Anna Altomare, Giovanna Baron, Marta Balbinot, Alma Martínez Fernández, Alessandro Pedretti, Beatrice Zoanni, Maura Brioschi, Piergiuseppe Agostoni, Marina Carini, Cristina Banfi, Giancarlo Aldini
Erratum: Altomare et al. In-Depth AGE and ALE Profiling of Human Albumin in Heart Failure: Ex Vivo Studies. Antioxidants 2021, 10, 358. Antioxidants (Basel, Switzerland) 10 (10) (2021)
Angelica Mazzolari, Luca Sommaruga, Alessandro Pedretti, Vistoli Giulio
MetaTREE, a Novel Database Focused on Metabolic Trees, Predicts an Important Detoxification Mechanism: The Glutathione Conjugation. Molecules (Basel, Switzerland) 26 (7) (2021)
Alessandra Anna Altomare, Giovanna Baron, Marta Balbinot, Alessandro Pedretti, Beatrice Zoanni, Maura Brioschi, Piergiuseppe Agostoni, Marina Carini, Cristina Banfi, Giancarlo Aldini
In-Depth AGE and ALE Profiling of Human Albumin in Heart Failure: Ex Vivo Studies. Antioxidants (Basel, Switzerland) 10 (3) (2021)
Alessandro Pedretti, Angelica Mazzolari, Silvia Gervasoni, Laura Fumagalli, Giulio Vistoli
The VEGA suite of programs: an versatile platform for cheminformatics and drug design projects. Bioinformatics (Oxford, England) 37 (8) (2021)
Angelica Artasensi, Alessandro Pedretti, Giulio Vistoli, Laura Fumagalli
Type 2 Diabetes Mellitus: A Review of Multi-Target Drugs. Molecules (Basel, Switzerland) 25 (8) (2020)
Angelica Mazzolari, Silvia Gervasoni, Alessandro Pedretti, Laura Fumagalli, Rosanna Matucci, Giulio Vistoli
Repositioning Dequalinium as Potent Muscarinic Allosteric Ligand by Combining Virtual Screening Campaigns and Experimental Binding Assays. International journal of molecular sciences 21 (17) (2020)
Matteo Mori, Ettore Gilardoni, Luca Regazzoni, Alessandro Pedretti, Diego Colombo, Gary N Parkinson, Akira Asai, Fiorella Meneghetti, Stefania Villa, Arianna Gelain
Towards the Inhibition of Protein-Protein Interactions (PPIs) in STAT3: Insights into a New Class of Benzothiadiazole Derivatives. Molecules (Basel, Switzerland) 25 (15) (2020)
Silvia Gervasoni, Giulio Vistoli, Carmine Talarico, Candida Manelfi, Andrea Rosario Beccari, Gabriel Studer, Gerardo Tauriello, Andrew Mark Waterhouse, Torsten Schwede, Alessandro Pedretti
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. International journal of molecular sciences 21 (14) (2020)
Alessandro Pedretti, Angelica Mazzolari, Silvia Gervasoni, Giulio Vistoli
Rescoring and Linearly Combining: A Highly Effective Consensus Strategy for Virtual Screening Campaigns. International journal of molecular sciences 20 (9) (2019)
Martin Šícho, Conrad Stork, Angelica Mazzolari, Christina de Bruyn Kops, Alessandro Pedretti, Bernard Testa, Vistoli Giulio, Daniel Svozil, Johannes Kirchmair
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes. Journal of chemical information and modeling 59 (8) (2019)
Alessandro Pedretti, Angelica Mazzolari, Vistoli Giulio, Bernard Testa
MetaQSAR: An Integrated Database Engine to Manage and Analyze Metabolic Data. Journal of medicinal chemistry 61 (3) (2018)
Angelica Mazzolari, Giulio Vistoli, Bernard Testa, Alessandro Pedretti
Prediction of the Formation of Reactive Metabolites by A Novel Classifier Approach Based on Enrichment Factor Optimization (EFO) as Implemented in the VEGA Program. Molecules (Basel, Switzerland) 23 (11) (2018)
Alessandro Pedretti, Angelica Mazzolari, Vistoli Giulio
WarpEngine, a Flexible Platform for Distributed Computing Implemented in the VEGA Program and Specially Targeted for Virtual Screening Studies. Journal of chemical information and modeling 58 (6) (2018)