CAPELLI, RICCARDO
CAPELLI, RICCARDO
Dipartimento di Bioscienze
Estimation of Ligand Binding Free Energy Using Multi-eGO
2025 B. Stegani, E. Scalone, F. Bacic Toplek, T. Löhr, S. Gianni, M. Vendruscolo, R. Capelli, C. Camilloni
The standard coil or globule phases cannot describe the denatured state of structured proteins and intrinsically disordered proteins
2025 F. Righini, G. Potel, R. Capelli, G. Tiana
Calcium-Driven In Silico Inactivation of a Human Olfactory Receptor
2024 L. Pirona, F. Ballabio, M. Alfonso-Prieto, R. Capelli
Proton Affinity and Conformational Integrity of a 24-Atom Triazine Macrocycle across Physiologically Relevant pH
2024 A.J. Menke, Z.P. Jacobus, L.E. Claton, O. Annunziata, R. Capelli, G.M. Pavan, E.E. Simanek
Circular oligomeric particles formed by Ros/MucR family members mediate DNA organization in α-proteobacteria
2024 A. Chaves-Sanjuan, G. D’Abrosca, V. Russo, B. van Erp, A. DEL CONT BERNARD, R. Capelli, L. Pirone, M. Slapakova, D. Sgambati, R. Fattorusso, C. Isernia, L. Russo, I.S. Barton, R. Martin Roop, E.M. Pedone, M. Bolognesi, R.T. Dame, P.V. Pedone, M. Nardini, G. Malgieri, I. Baglivo
Multi-eGO: Model Improvements toward the Study of Complex Self-Assembly Processes
2024 F. Bacic Toplek, E. Scalone, B. Stegani, C. Paissoni, R. Capelli, C. Camilloni
A PDZ tandem repeat folds and unfolds via different pathways
2024 V. Pennacchietti, S. di Matteo, L. Pagano, F.B. Toplek, B. Stegani, A. Toto, J. Toso, E. Puglisi, R. Capelli, M. Di Felice, F. Malagrinò, C. Camilloni, S. Gianni
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation
2023 A.J. Menke, C.J. Gloor, L.E. Claton, M.A. Mekhail, H. Pan, M.D. Stewart, K.N. Green, J.H. Reibenspies, G.M. Pavan, R. Capelli, E.E. Simanek
Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design
2023 K. Zuo, A. Kranjc, R. Capelli, G. Rossetti, R. Nechushtai, P. Carloni
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET
2023 K. Zuo, R. Capelli, G. Rossetti, R. Nechushtai, P. Carloni
Computational Epitope Prediction and Design for Antibody Development and Detection
2023 R. Capelli, S.A. Serapian, G. Colombo
Self-assembly of cyclic peptide monolayers by hydrophobic supramolecular hinges
2023 I. Insua, A. Cardellini, S. Díaz, J. Bergueiro, R. Capelli, G.M. Pavan, J. Montenegro
Machine Learning-Based Modeling of Olfactory Receptors in Their Inactive State: Human OR51E2 as a Case Study
2023 M. Alfonso-Prieto, R. Capelli
Lessons Learned from Multiobjective Automatic Optimizations of Classical Three-Site Rigid Water Models Using Microscopic and Macroscopic Target Experimental Observables
2023 M. Perrone, R. Capelli, C. Empereur-mot, A. Hassanali, G.M. Pavan
Accurate and Efficient SAXS/SANS Implementation Including Solvation Layer Effects Suitable for Molecular Simulations
2023 F. Ballabio, C. Paissoni, M. Bollati, M. de Rosa, R. Capelli, C. Camilloni
Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG
2023 C. Empereur-mot, K.B. Pedersen, R. Capelli, M. Crippa, C. Caruso, M. Perrone, P.C.T. Souza, S.J. Marrink, G.M. Pavan
Atomistic Insights into Hydrogen-Bonded Supramolecular Capsule Self-Assembly Dynamics
2023 R. Capelli, G. Piccini
Topological origin of the protein folding transition
2022 L. Di Cairano, R. Capelli, G. Bel-Hadj-Aissa, M. Pettini
Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous Solution
2022 L.G. Hoang, J. Gossen, R. Capelli, T.T. Nguyen, Z. Sun, K. Zuo, J.B. Schulz, G. Rossetti, P. Carloni
Automatic multi-objective optimization of coarse-grained lipid force fields using SwarmCG
2022 C. Empereur-Mot, R. Capelli, M. Perrone, C. Caruso, G. Doni, G.M. Pavan