Riccardo Capelli
Riccardo Capelli
Department of Applied Science and Technology (DISAT), Politecnico di Torino
Email verificata su polito.it
Titolo
Citata da
Citata da
Anno
Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi
Nature methods 16 (8), 670-673, 2019
1832019
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
272020
Exhaustive search of ligand binding pathways via volume-based metadynamics
R Capelli, P Carloni, M Parrinello
The journal of physical chemistry letters 10 (12), 3495-3499, 2019
272019
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
242019
Enhancing antibody serodiagnosis using a controlled peptide coimmobilization strategy
L Sola, P Gagni, I D’Annessa, R Capelli, C Bertino, A Romanato, F Damin, ...
ACS infectious diseases 4 (6), 998-1006, 2018
152018
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
142020
The subtle trade-off between evolutionary and energetic constraints in protein–protein interactions
F Marchetti, R Capelli, F Rizzato, A Laio, G Colombo
The journal of physical chemistry letters 10 (7), 1489-1497, 2019
142019
MonteGrappa: An iterative Monte Carlo program to optimize biomolecular potentials in simplified models
G Tiana, F Villa, Y Zhan, R Capelli, C Paissoni, P Sormanni, E Heard, ...
Computer Physics Communications 186, 93-104, 2015
122015
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
102016
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), 184114, 2018
92018
SAGE: a fast computational tool for linear epitope grafting onto a foreign protein scaffold
R Capelli, F Marchetti, G Tiana, G Colombo
Journal of chemical information and modeling 57 (1), 6-10, 2017
92017
Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning …
C Empereur-Mot, L Pesce, G Doni, D Bochicchio, R Capelli, C Perego, ...
ACS omega 5 (50), 32823-32843, 2020
82020
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
82018
Exact value for the average optimal cost of the bipartite traveling salesman and two-factor problems in two dimensions
R Capelli, S Caracciolo, A Di Gioacchino, EM Malatesta
Physical Review E 98 (3), 030101, 2018
62018
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
52016
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
42017
Iterative derivation of effective potentials to sample the conformational space of proteins at atomistic scale
R Capelli, C Paissoni, P Sormanni, G Tiana
The Journal of chemical physics 140 (19), 05B615_1, 2014
42014
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
32021
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
32020
Multiscale Molecular Modelling of ATP-fueled Supramolecular Polymerisation and Depolymerisation
C Perego, L Pesce, R Capelli, SJ George, GM Pavan
ChemRxiv, 2020
22020
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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