Riccardo Capelli
Riccardo Capelli
Department of Biosciences, Università degli Studi di Milano
Email verificata su
Citata da
Citata da
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
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
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
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
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
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
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
Porous covalent organic nanotubes and their assembly in loops and toroids
K Koner, S Karak, S Kandambeth, S Karak, N Thomas, L Leanza, ...
Nature Chemistry 14 (5), 507-514, 2022
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
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
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
Enhanced-sampling simulations for the estimation of ligand binding kinetics: current status and perspective
K Ahmad, A Rizzi, R Capelli, D Mandelli, W Lyu, P Carloni
Frontiers in molecular biosciences 9, 2022
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
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
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
Enhanced sampling approach to the induced-fit docking problem in protein–ligand binding: the case of mono-ADP-ribosylation hydrolase inhibitors
Q Zhao, R Capelli, P Carloni, B Luscher, J Li, G Rossetti
Journal of chemical theory and computation 17 (12), 7899-7911, 2021
Multiscale Molecular Modelling of ATP‐Fueled Supramolecular Polymerisation and Depolymerisation
C Perego, L Pesce, R Capelli, SJ George, GM Pavan
ChemSystemsChem 3 (2), e2000038, 2021
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
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
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
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20