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Riccardo Capelli
Riccardo Capelli
Department of Biosciences, Università degli Studi di Milano
Verified email at unimi.it
Title
Cited by
Cited by
Year
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
8032019
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
972020
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
872019
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
812022
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
752022
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
582019
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
572020
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, 899805, 2022
512022
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
512020
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
312021
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
302018
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
242019
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
202023
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
182021
Ephemeral ice-like local environments in classical rigid models of liquid water
R Capelli, F Muniz-Miranda, GM Pavan
The Journal of Chemical Physics 156 (21), 2022
17*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
172018
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
172018
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
132022
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
132017
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
132016
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