| A data-driven dimensionality reduction approach to compare and classify lipid force fields R Capelli, A Gardin, C Empereur-Mot, G Doni, GM Pavan The Journal of Physical Chemistry B 125 (28), 7785-7796, 2021 | 26 | 2021 |
| A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation AJ Menke, CJ Gloor, LE Claton, MA Mekhail, H Pan, MD Stewart, ... The Journal of organic chemistry 88 (5), 2692-2702, 2023 | 5 | 2023 |
| Accuracy of Molecular Simulation-Based Predictions of koff Values: A Metadynamics Study R Capelli, W Lyu, V Bolnykh, S Meloni, JMH Olsen, U Rothlisberger, ... The journal of physical chemistry letters 11 (15), 6373-6381, 2020 | 48 | 2020 |
| Accurate and Efficient SAXS/SANS Implementation Including Solvation Layer Effects Suitable for Molecular Simulations F Ballabio, C Paissoni, M Bollati, M de Rosa, R Capelli, C Camilloni Journal of Chemical Theory and Computation 19 (22), 8401-8413, 2023 | | 2023 |
| An implementation of the maximum-caliber principle by replica-averaged time-resolved restrained simulations R Capelli, G Tiana, C Camilloni The Journal of Chemical Physics 148 (18), 2018 | 16 | 2018 |
| Assessment of mutational effects on peptide stability through confinement simulations R Capelli, F Villemot, E Moroni, G Tiana, A van der Vaart, G Colombo The Journal of Physical Chemistry Letters 7 (1), 126-130, 2016 | 12 | 2016 |
| Atomistic Insights into Hydrogen-Bonded Supramolecular Capsule Self-Assembly Dynamics R Capelli, GM Piccini The Journal of Physical Chemistry C 128 (1), 635-641, 2023 | 1 | 2023 |
| Automatic multi-objective optimization of coarse-grained lipid force fields using SwarmCG C Empereur-Mot, R Capelli, M Perrone, C Caruso, G Doni, GM Pavan The Journal of Chemical Physics 156 (2), 2022 | 12 | 2022 |
| Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG C Empereur-Mot, KB Pedersen, R Capelli, M Crippa, C Caruso, ... Journal of chemical information and modeling 63 (12), 3827-3838, 2023 | 16 | 2023 |
| Balancing accuracy and cost of confinement simulations by interpolation and extrapolation of confinement energies F Villemot, R Capelli, G Colombo, A van der Vaart Journal of Chemical Theory and Computation 12 (6), 2779-2789, 2016 | 7 | 2016 |
| BPSL1626: Reverse and Structural Vaccinology Reveal a Novel Candidate for Vaccine Design against Burkholderia pseudomallei R Capelli, C Peri, R Villa, A Nithichanon, O Conchillo-Solé, D Yero, ... Antibodies 7 (3), 26, 2018 | 15 | 2018 |
| Calcium-Driven In Silico Inactivation of a Human Olfactory Receptor L Pirona, F Ballabio, M Alfonso-Prieto, R Capelli Journal of Chemical Information and Modeling 64 (8), 2971-2978, 2024 | | 2024 |
| Chasing the full free energy landscape of neuroreceptor/ligand unbinding by metadynamics simulations R Capelli, A Bochicchio, GM Piccini, R Casasnovas, P Carloni, ... Journal of chemical theory and computation 15 (5), 3354-3361, 2019 | 51 | 2019 |
| Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors F Baldessari, R Capelli, P Carloni, A Giorgetti Computational and structural biotechnology journal 18, 1153-1159, 2020 | 9 | 2020 |
| Computational Epitope Prediction and Design for Antibody Development and Detection R Capelli, SA Serapian, G Colombo Computer-Aided Antibody Design, 255-266, 2022 | 2 | 2022 |
| Computational modeling of proteins: from statistical mechanics to immunology R Capelli Università degli Studi di Milano, 2017 | | 2017 |
| Controlling the length of porphyrin supramolecular polymers via coupled equilibria and dilution-induced supramolecular polymerization E Weyandt, L Leanza, R Capelli, GM Pavan, G Vantomme, EW Meijer Nature Communications 13 (1), 248, 2022 | 57 | 2022 |
| Cooperative supramolecular block copolymerization for the synthesis of functional axial organic heterostructures A Sarkar, T Behera, R Sasmal, R Capelli, C Empereur-Mot, J Mahato, ... Journal of the American Chemical Society 142 (26), 11528-11539, 2020 | 87 | 2020 |
| Density-tunable pathway complexity in a minimalistic self-assembly model M Becchi, R Capelli, C Perego, GM Pavan, C Micheletti Soft Matter 18 (42), 8106-8116, 2022 | 4 | 2022 |
| Designing Probes for Immunodiagnostics: Structural Insights into an Epitope Targeting Burkholderia Infections R Capelli, E Matterazzo, M Amabili, C Peri, A Gori, P Gagni, M Chiari, ... ACS Infectious Diseases 3 (10), 736-743, 2017 | 7 | 2017 |
