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ORCIDAndrea Cavalli
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2020 – today
- 2024
[j34]Pedro R. A. S. Bassi
, Sergio Decherchi, Andrea Cavalli:
Faster ISNet for Background Bias Mitigation on Deep Neural Networks. IEEE Access 12: 155151-155167 (2024)- [j33]Lorenzo Rocutto, Marco Maronese, Daniele Dragoni, Andrea Cavalli, Carlo Cavazzoni:
Comparing Adiabatic Quantum Computers for satellite images feature extraction. Future Gener. Comput. Syst. 159: 105-113 (2024) - [j32]Carlo Abate, Sergio Decherchi, Andrea Cavalli:
AMCG: a graph dual atomic-molecular conditional molecular generator. Mach. Learn. Sci. Technol. 5(3): 35004 (2024) - [i2]Pedro R. A. S. Bassi, Sergio Decherchi, Andrea Cavalli:
Faster ISNet for Background Bias Mitigation on Deep Neural Networks. CoRR abs/2401.08409 (2024) - [i1]Pedro R. A. S. Bassi, Andrea Cavalli, Sergio Decherchi:
Explanation is All You Need in Distillation: Mitigating Bias and Shortcut Learning. CoRR abs/2407.09788 (2024) - 2023
- [j31]Lorenzo Rocutto, Marco Maronese, Fabio Lorenzo Traversa, Sergio Decherchi, Andrea Cavalli:
Assessing the Effectiveness of Non-Turing Computing Paradigms. IEEE Access 11: 98751-98763 (2023) - [j30]Sarmistha Majumdar, Francesco Di Palma, Francesca Spyrakis, Sergio Decherchi, Andrea Cavalli:
Molecular Dynamics and Machine Learning Give Insights on the Flexibility-Activity Relationships in Tyrosine Kinome. J. Chem. Inf. Model. 63(15): 4814-4826 (2023) - 2021
- [j29]Erika Gardini, Marco Jacopo Ferrarotti, Andrea Cavalli, Sergio Decherchi:
Using Principal Paths to Walk Through Music and Visual Art Style Spaces Induced by Convolutional Neural Networks. Cogn. Comput. 13(2): 570-582 (2021) - [j28]María Gálvez-Llompart, Riccardo Ocello, Laura Rullo, Serena Stamatakos, Irene Alessandrini, Riccardo Zanni, Iñaki Tuñón, Andrea Cavalli, Sanzio Candeletti, Matteo Masetti, Patrizia Romualdi, Maurizio Recanatini:
Targeting the JAK/STAT Pathway: A Combined Ligand- and Target-Based Approach. J. Chem. Inf. Model. 61(6): 3091-3108 (2021) - [c8]Erika Gardini, Andrea Cavalli, Sergio Decherchi:
An Ab Initio Local Principal Path Algorithm. IJCNN 2021: 1-8 - [c7]Luca Pestarino, Giovanni Fiorito, Silvia Polidoro, Paolo Vineis, Andrea Cavalli, Sergio Decherchi:
On the Stability of Feature Selection in Multiomics Data. IJCNN 2021: 1-7 - 2020
- [j27]Erika Gardini, Federico M. Giorgi, Sergio Decherchi, Andrea Cavalli:
Spathial: an R package for the evolutionary analysis of biological data. Bioinform. 36(17): 4664-4667 (2020) - [j26]Linn S. M. Evenseth, Riccardo Ocello, Mari Gabrielsen, Matteo Masetti, Maurizio Recanatini, Ingebrigt Sylte, Andrea Cavalli:
Exploring Conformational Dynamics of the Extracellular Venus flytrap Domain of the GABAB Receptor: A Path-Metadynamics Study. J. Chem. Inf. Model. 60(4): 2294-2303 (2020) - [j25]Sergio Decherchi, Andrea Cavalli:
Fast and Memory-Efficient Import Vector Domain Description. Neural Process. Lett. 52(1): 511-524 (2020)
2010 – 2019
- 2019
- [j24]Doris A. Schuetz, Mattia Bernetti, Martina Bertazzo, Djordje Musil, Hans-Michael Eggenweiler, Maurizio Recanatini, Matteo Masetti, Gerhard F. Ecker, Andrea Cavalli:
Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics. J. Chem. Inf. Model. 59(1): 535-549 (2019) - 2018
- [j23]Sergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, Walter Rocchia, Andrea Cavalli:
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery. J. Chem. Inf. Model. 58(2): 219-224 (2018) - [j22]Martina Bertazzo, Mattia Bernetti, Maurizio Recanatini, Matteo Masetti, Andrea Cavalli:
Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations. J. Chem. Inf. Model. 58(2): 490-500 (2018) - [j21]Sergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, Walter Rocchia, Andrea Cavalli:
Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery. J. Chem. Inf. Model. 58(8): 1721 (2018) - [j20]Mattia Bernetti, Elena Rosini, Luca Mollica, Matteo Masetti, Loredano Pollegioni, Maurizio Recanatini, Andrea Cavalli:
Binding Residence Time through Scaled Molecular Dynamics: A Prospective Application to hDAAO Inhibitors. J. Chem. Inf. Model. 58(11): 2255-2265 (2018) - [c6]Sergio Decherchi, Andrea Cavalli:
Simple Learning with a Teacher via Biased Regularized Least Squares. LOD 2018: 14-25 - 2017
- [j19]Matteo Masetti, Francesco Musiani, Mattia Bernetti, Federico Falchi, Andrea Cavalli, Stefano Ciurli, Maurizio Recanatini:
Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data. J. Comput. Chem. 38(21): 1834-1843 (2017) - 2015
- [j18]Jarmila Husby, Giovanni Bottegoni, Irina Kufareva, Ruben Abagyan, Andrea Cavalli:
Structure-Based Predictions of Activity Cliffs. J. Chem. Inf. Model. 55(5): 1062-1076 (2015) - [j17]Luca Mollica, Gianluca Conti, Loredano Pollegioni, Andrea Cavalli, Elena Rosini:
Unveiling the Atomic-Level Determinants of Acylase-Ligand Complexes: An Experimental and Computational Study. J. Chem. Inf. Model. 55(10): 2227-2241 (2015) - [j16]Francesca Spyrakis, Paolo Benedetti, Sergio Decherchi, Walter Rocchia, Andrea Cavalli, Stefano Alcaro, Francesco Ortuso, Massimo Baroni, Gabriele Cruciani:
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins. J. Chem. Inf. Model. 55(10): 2256-2274 (2015) - [j15]Giovanni Grazioso, Jacopo Sgrignani, Romina Capelli, Carlo Matera, Clelia Dallanoce, Marco De Amici, Andrea Cavalli:
Allosteric Modulation of Alpha7 Nicotinic Receptors: Mechanistic Insight through Metadynamics and Essential Dynamics. J. Chem. Inf. Model. 55(12): 2528-2539 (2015) - [j14]Giulia Palermo, Inga Bauer, Pablo Campomanes, Andrea Cavalli, Andrea Armirotti, Stefania Girotto, Ursula Rothlisberger, Marco de Vivo:
Keys to Lipid Selection in Fatty Acid Amide Hydrolase Catalysis: Structural Flexibility, Gating Residues and Multiple Binding Pockets. PLoS Comput. Biol. 11(6) (2015) - 2014
- [j13]Biao Fu, Aleksandr B. Sahakyan, Carlo Camilloni, Gian Gaetano Tartaglia, Emanuele Paci, Amedeo Caflisch, Michele Vendruscolo, Andrea Cavalli:
ALMOST: An all atom molecular simulation toolkit for protein structure determination. J. Comput. Chem. 35(14): 1101-1105 (2014) - [j12]Paola Bisignano, Stefan Doerr, Matt J. Harvey, Angelo D. Favia, Andrea Cavalli, Gianni De Fabritiis:
Kinetic Characterization of Fragment Binding in AmpC β-Lactamase by High-Throughput Molecular Simulations. J. Chem. Inf. Model. 54(2): 362-366 (2014) - [j11]Jagdish Suresh Patel, Anna Berteotti, Simone Ronsisvalle, Walter Rocchia, Andrea Cavalli:
Steered Molecular Dynamics Simulations for Studying Protein-Ligand Interaction in Cyclin-Dependent Kinase 5. J. Chem. Inf. Model. 54(2): 470-480 (2014) - 2013
- [j10]Giovanni Paolo Di Martino, Matteo Masetti, Luisa Ceccarini, Andrea Cavalli, Maurizio Recanatini:
An Automated Docking Protocol for hERG Channel Blockers. J. Chem. Inf. Model. 53(1): 159-175 (2013) - [j9]Rosa Buonfiglio, Mariarosaria Ferraro, Federico Falchi, Andrea Cavalli, Matteo Masetti, Maurizio Recanatini:
Collecting and Assessing Human Lactate Dehydrogenase-A Conformations for Structure-Based Virtual Screening. J. Chem. Inf. Model. 53(11): 2792-2797 (2013) - [p1]Francesco Locatelli, Celestina Manzoni, Giuseppe Pontoriero, Andrea Cavalli, Salvatore Di Filippo, Ahmad Taher Azar:
Ionic Dialysance and Conductivity Modeling. Modelling and Control of Dialysis Systems (2) 2013: 811-865 - 2012
- [j8]Puneet Kacker, Matteo Masetti, Martina Mangold, Giovanni Bottegoni, Andrea Cavalli:
Combining Dyad Protonation and Active Site Plasticity in BACE-1 Structure-Based Drug Design. J. Chem. Inf. Model. 52(5): 1079-1085 (2012) - [j7]Paola Bisignano, Chiara Lambruschini, Manuele Bicego, Vittorio Murino, Angelo D. Favia, Andrea Cavalli:
In Silico Deconstruction of ATP-Competitive Inhibitors of Glycogen Synthase Kinase-3β. J. Chem. Inf. Model. 52(12): 3233-3244 (2012) - 2011
- [j6]Angelo D. Favia, Giovanni Bottegoni, Irene Nobeli, Paola Bisignano, Andrea Cavalli:
SERAPhiC: A Benchmark for in Silico Fragment-Based Drug Design. J. Chem. Inf. Model. 51(11): 2882-2896 (2011) - [c5]Manuele Bicego, Angelo D. Favia, Paola Bisignano, Andrea Cavalli, Vittorio Murino:
An Innovative Protocol for Comparing Protein Binding Sites via Atomic Grid Maps. KDIR 2011: 413-422
2000 – 2009
- 2009
- [j5]Jacopo Sgrignani, Claudia Bonaccini, Giovanni Grazioso, Matteo Chioccioli, Andrea Cavalli, Paola Gratteri:
Insights into docking and scoring neuronal alpha4beta2 nicotinic receptor agonists using molecular dynamics simulations and QM/MM calculations. J. Comput. Chem. 30(15): 2443-2454 (2009) - 2008
- [j4]Matteo Masetti, Andrea Cavalli, Maurizio Recanatini:
Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies. J. Comput. Chem. 29(5): 795-808 (2008) - [j3]Giovanni Grazioso, Andrea Cavalli, Marco De Amici, Maurizio Recanatini, Carlo De Micheli:
Alpha7 nicotinic acetylcholine receptor agonists: Prediction of their binding affinity through a molecular mechanics Poisson-Boltzmann surface area approach. J. Comput. Chem. 29(15): 2593-2602 (2008) - [j2]Francesco Colizzi, Maurizio Recanatini, Andrea Cavalli:
Mechanical Features of Plasmodium falciparum Acyl Carrier Protein in the Delivery of Substrates. J. Chem. Inf. Model. 48(12): 2289-2293 (2008) - 2006
- [j1]Giovanni Bottegoni, Andrea Cavalli, Maurizio Recanatini:
A Comparative Study on the Application of Hierarchical-Agglomerative Clustering Approaches to Organize Outputs of Reiterated Docking Runs. J. Chem. Inf. Model. 46(2): 852-862 (2006) - [c4]Giovanni Bottegoni, Walter Rocchia, Maurizio Recanatini, Andrea Cavalli:
AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets. ISMB (Supplement of Bioinformatics) 2006: 58-65 - 2003
- [c3]Bennet Uk, Michela Taufer, Thomas Stricker, Giovanni Settanni, Andrea Cavalli, Amedeo Caflisch:
Combining Task- and Data Parallelism to Speed up Protein Folding on a Desktop Grid Platform. CCGRID 2003: 240-247 - [c2]Bennet Uk, Michela Taufer, Thomas Stricker, Giovanni Settanni, Andrea Cavalli:
Implementation and Characterization of Protein Folding on a Desktop Computational Grid - Is CHARMM a Suitable Candidate for the United Devices MetaProcessor? IPDPS 2003: 50 - 2002
- [c1]Michela Taufer, Egon Perathoner, Andrea Cavalli, Amedeo Caflisch, Thomas Stricker:
Performance Characterization of a Molecular Dynamics Code on PC Clusters: Is There Any Easy Parallelism in CHARMM?. IPDPS 2002
Coauthor Index
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last updated on 2024-12-02 21:31 CET by the dblp team
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