Sfoglia per Autore
Iterative derivation of effective potentials to sample the conformational space of proteins at atomistic scale
2014 R. Capelli, C. Paissoni, P. Sormani, G. Tiana
MonteGrappa : an iterative Monte Carlo program to optimize biomolecular potentials in simplified models
2015 G. Tiana, F. Villa, Y. Zhan, R. Capelli, C. Paissoni, P. Sormanni, E. Heard, L. Giorgetti, R. Meloni
Assessment of Mutational Effects on Peptide Stability through Confinement Simulations
2016 R. Capelli, F. Villemot, E. Moroni, G. Tiana, A. van der Vaart, G. Colombo
Balancing Accuracy and Cost of Confinement Simulations by Interpolation and Extrapolation of Confinement Energies
2016 F. Villemot, R. Capelli, G. Colombo, A. van der Vaart
SAGE: A Fast Computational Tool for Linear Epitope Grafting onto a Foreign Protein Scaffold
2017 R. Capelli, F. Marchetti, G. Tiana, G. Colombo
Designing Probes for Immunodiagnostics : Structural Insights into an Epitope Targeting Burkholderia Infections
2017 R. Capelli, E. Matterazzo, M. Amabili, C. Peri, A. Gori, P. Gagni, M. Chiari, G. Lertmemongkolchai, M. Cretich, M. Bolognesi, G. Colombo, L.J. Gourlay
COMPUTATIONAL MODELING OF PROTEINS: FROM STATISTICAL MECHANICS TO IMMUNOLOGY
2017 R. Capelli
An implementation of the maximum-caliber principle by replica-averaged time-resolved restrained simulations
2018 R. Capelli, G. Tiana, C. Camilloni
Enhancing Antibody Serodiagnosis Using a Controlled Peptide Coimmobilization Strategy
2018 L. Sola, P. Gagni, I. D'Annessa, R. Capelli, C. Bertino, A. Romanato, F. Damin, G. Bergamaschi, E. Marchisio, A. Cuzzocrea, M. Bombaci, R. Grifantini, M. Chiari, G. Colombo, A. Gori, M. Cretich
BPSL1626 : Reverse and Structural Vaccinology Reveal a Novel Candidate for Vaccine Design Against Burkholderia pseudomallei
2018 R. Capelli, C. Peri, R. Villa, A. Nithichanon, O. Conchillo-Solé, D. Yero, P. Gagni, M. Chiari, G. Lertmemongkolchai, M. Cretich, X. Daura, M. Bolognesi, G. Colombo, L.J. Gourlay
Exact value for the average optimal cost of the bipartite traveling salesman and two-factor problems in two dimensions
2018 R. Capelli, S. Caracciolo, A. DI GIOACCHINO, E.M. Malatesta
Exhaustive Search of Ligand Binding Pathways via Volume-Based Metadynamics
2019 R. Capelli, P. Carloni, M. Parrinello
The Subtle Trade-Off between Evolutionary and Energetic Constraints in Protein-Protein Interactions
2019 F. Marchetti, R. Capelli, F. Rizzato, A. Laio, G. Colombo
Chasing the full free energy landscape of neuroreceptor/ligand unbinding by metadynamics simulations
2019 R. Capelli, A. Bochicchio, G. Piccini, R. Casasnovas, P. Carloni, M. Parrinello
Promoting transparency and reproducibility in enhanced molecular simulations
2019 M. Bonomi, G. Bussi, C. Camilloni, G.A. Tribello, P. Banáš, A. Barducci, M. Bernetti, P.G. Bolhuis, S. Bottaro, D. Branduardi, R. Capelli, P. Carloni, M. Ceriotti, A. Cesari, H. Chen, W. Chen, F. Colizzi, S. De, M. De La Pierre, D. Donadio, V. Drobot, B. Ensing, A.L. Ferguson, M. Filizola, J.S. Fraser, H. Fu, P. Gasparotto, F. Luigi Gervasio, F. Giberti, A. Gil-Ley, T. Giorgino, G.T. Heller, G.M. Hocky, M. Iannuzzi, M. Invernizzi, K.E. Jelfs, A. Jussupow, E. Kirilin, A. Laio, V. Limongelli, K. Lindorff-Larsen, T. Löhr, F. Marinelli, L. Martin-Samos, M. Masetti, R. Meyer, A. Michaelides, C. Molteni, T. Morishita, M. Nava, C. Paissoni, E. Papaleo, M. Parrinello, J. Pfaendtner, P. Piaggi, G. Piccini, A. Pietropaolo, F. Pietrucci, S. Pipolo, D. Provasi, D. Quigley, P. Raiteri, S. Raniolo, J. Rydzewski, M. Salvalaglio, G. Cesare Sosso, V. Spiwok, J. Šponer, D.W.H. Swenson, P. Tiwary, O. Valsson, M. Vendruscolo, G.A. Voth, A. White
Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors
2020 F. Baldessari, R. Capelli, P. Carloni, A. Giorgetti
Accuracy of Molecular Simulation-Based Predictions of koff Values: A Metadynamics Study
2020 R. Capelli, W. Lyu, V. Bolnykh, S. Meloni, J.M.H. Olsen, U. Rothlisberger, M. Parrinello, P. Carloni
Cooperative Supramolecular Block Copolymerization for the Synthesis of Functional Axial Organic Heterostructures
2020 A. Sarkar, T. Behera, R. Sasmal, R. Capelli, C. Empereur-Mot, J. Mahato, S.S. Agasti, G.M. Pavan, A. Chowdhury, S.J. George
Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
2020 C. Empereur-Mot, L. Pesce, G. Doni, D. Bochicchio, R. Capelli, C. Perego, G.M. Pavan
Evolution of frustrated and stabilising contacts in reconstructed ancient proteins
2021 M. Crippa, D. Andreghetti, R. Capelli, G. Tiana
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