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Riccardo Capelli
Riccardo Capelli
Department of Biosciences, Università degli Studi di Milano
Zweryfikowany adres z unimi.it
Tytuł
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Cytowane przez
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Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ...
Nature methods 16 (8), 670-673, 2019
6322019
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
812020
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
672019
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
562022
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
492022
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
492019
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
482020
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
462020
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
302022
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
282018
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
242021
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
232019
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
162018
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
152018
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
142023
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
13*2022
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
132021
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
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
132015
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
122022
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