Riccardo Capelli

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 47

Top Venues

Journal of chemical information and modeling

Journal of chemical theory and computation

The Journal of organic chemistry

The journal of physical chemistry letters

Politecnico di Torino

Università degli Studi di Milano (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Politecnico di Torino Nov 01 2019

Italy

Postdoc :: Department of Applied Science and Technology

Forschungszentrum Jülich Apr 23 2018 - Oct 31 2019

Germany

Postdoc :: Institute for Advanced Simulations

Istituto di Chimica del Riconoscimento Molecolare Consiglio Nazionale delle Ricerche Apr 01 2014 - Oct 31 2014

Italy

Research Fellow

Education History

Università degli Studi di Milano Nov 01 2014 - Nov 24 2017

Italy

PHD :: Physics department

Università degli Studi di Milano

Italy

MSC :: Physics department

Università degli Studi di Milano

Italy

BSC :: Physics department

Publications

Lorenza Pirona, Federico Ballabio, Mercedes Alfonso-Prieto, Riccardo Capelli
Calcium-Driven In Silico Inactivation of a Human Olfactory Receptor. Journal of chemical information and modeling (2024)
Lorenza Pirona, Federico Ballabio, Mercedes Alfonso-Prieto, Riccardo Capelli
Calcium-Driven In Silico Inactivation of a Human Olfactory Receptor. Journal of chemical information and modeling 64 (8) (2024)
Alexander J Menke, Zachary P Jacobus, Liam E Claton, Onofrio Annunziata, Riccardo Capelli, Giovanni M Pavan, Eric E Simanek
Proton Affinity and Conformational Integrity of a 24-Atom Triazine Macrocycle across Physiologically Relevant pH. The Journal of organic chemistry (2024)
Lorenza Pirona, Federico Ballabio, Mercedes Alfonso-Prieto, Riccardo Capelli
Calcium-Driven In Silico Inactivation of a Human Olfactory Receptor. Journal of chemical information and modeling 64 (8) (2024)
Alexander J Menke, Zachary P Jacobus, Liam E Claton, Onofrio Annunziata, Riccardo Capelli, Giovanni M Pavan, Eric E Simanek
Proton Affinity and Conformational Integrity of a 24-Atom Triazine Macrocycle across Physiologically Relevant pH. The Journal of organic chemistry 89 (4) (2024)
Lorenza Pirona, Federico Ballabio, Mercedes Alfonso-Prieto, Riccardo Capelli
Calcium-Driven In Silico Inactivation of a Human Olfactory Receptor. Journal of chemical information and modeling 64 (8) (2024)
Lorenza Pirona, Federico Ballabio, Mercedes Alfonso-Prieto, Riccardo Capelli
Calcium-Driven In Silico Inactivation of a Human Olfactory Receptor. Journal of chemical information and modeling 64 (8) (2024)
Mercedes Alfonso-Prieto, Riccardo Capelli
Machine Learning-Based Modeling of Olfactory Receptors in Their Inactive State: Human OR51E2 as a Case Study. Journal of chemical information and modeling 63 (10) (2023)
Alexander J Menke, Camryn J Gloor, Liam E Claton, Magy A Mekhail, Hongjun Pan, Mikaela D Stewart, Kayla N Green, Joseph H Reibenspies, Giovanni M Pavan, Riccardo Capelli, Eric E Simanek
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation. The Journal of organic chemistry 88 (5) (2023)
Ignacio Insua, Annalisa Cardellini, Sandra Díaz, Julian Bergueiro, Riccardo Capelli, Giovanni M Pavan, Javier Montenegro
Self-assembly of cyclic peptide monolayers by hydrophobic supramolecular hinges. Chemical science 14 (48) (2023)
Fran Bačić Toplek, Emanuele Scalone, Bruno Stegani, Cristina Paissoni, Riccardo Capelli, Carlo Camilloni
Multi- e GO: Model Improvements toward the Study of Complex Self-Assembly Processes. Journal of chemical theory and computation 20 (1) (2023)
Mattia Perrone, Riccardo Capelli, Charly Empereur-Mot, Ali A Hassanali, Giovanni M Pavan
Lessons Learned from Multiobjective Automatic Optimizations of Classical Three-Site Rigid Water Models Using Microscopic and Macroscopic Target Experimental Observables. Journal of chemical and engineering data 68 (12) (2023)
Federico Ballabio, Cristina Paissoni, Michela Bollati, Matteo de Rosa, Riccardo Capelli, Carlo Camilloni
Accurate and Efficient SAXS/SANS Implementation Including Solvation Layer Effects Suitable for Molecular Simulations. Journal of chemical theory and computation (2023)
Fran Bačić Toplek, Emanuele Scalone, Bruno Stegani, Cristina Paissoni, Riccardo Capelli, Carlo Camilloni
Multi- e GO: Model Improvements toward the Study of Complex Self-Assembly Processes. Journal of chemical theory and computation (2023)
Ke Zuo, Riccardo Capelli, Sybille Krauß, Rachel Nechushtai, Paolo Carloni
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET. Journal of chemical information and modeling 63 (2) (2023)
Ke Zuo, Riccardo Capelli, Sybille Krauß, Rachel Nechushtai, Paolo Carloni
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET. Journal of chemical information and modeling 63 (2) (2023)
Alexander J Menke, Camryn J Gloor, Liam E Claton, Magy A Mekhail, Hongjun Pan, Mikaela D Stewart, Kayla N Green, Joseph H Reibenspies, Giovanni M Pavan, Riccardo Capelli, Eric E Simanek
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation. The Journal of organic chemistry 88 (5) (2023)
Alexander J Menke, Camryn J Gloor, Liam E Claton, Magy A Mekhail, Hongjun Pan, Mikaela D Stewart, Kayla N Green, Joseph H Reibenspies, Giovanni M Pavan, Riccardo Capelli, Eric E Simanek
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation. The Journal of organic chemistry 88 (5) (2023)
Ke Zuo, Riccardo Capelli, Sybille Krauß, Rachel Nechushtai, Paolo Carloni
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET. Journal of chemical information and modeling 63 (2) (2023)
Ke Zuo, Riccardo Capelli, Sybille Krauß, Rachel Nechushtai, Paolo Carloni
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET. Journal of chemical information and modeling 63 (2) (2023)
Alexander J Menke, Camryn J Gloor, Liam E Claton, Magy A Mekhail, Hongjun Pan, Mikaela D Stewart, Kayla N Green, Joseph H Reibenspies, Giovanni M Pavan, Riccardo Capelli, Eric E Simanek
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation. The Journal of organic chemistry (2023)
Fran Bačić Toplek, Emanuele Scalone, Bruno Stegani, Cristina Paissoni, Riccardo Capelli, Carlo Camilloni
Multi- e GO: Model Improvements toward the Study of Complex Self-Assembly Processes. Journal of chemical theory and computation 20 (1) (2023)
Ignacio Insua, Annalisa Cardellini, Sandra Díaz, Julian Bergueiro, Riccardo Capelli, Giovanni M Pavan, Javier Montenegro
Self-assembly of cyclic peptide monolayers by hydrophobic supramolecular hinges. Chemical science 14 (48) (2023)
Mattia Perrone, Riccardo Capelli, Charly Empereur-Mot, Ali A Hassanali, Giovanni M Pavan
Lessons Learned from Multiobjective Automatic Optimizations of Classical Three-Site Rigid Water Models Using Microscopic and Macroscopic Target Experimental Observables. Journal of chemical and engineering data 68 (12) (2023)
Alexander J Menke, Camryn J Gloor, Liam E Claton, Magy A Mekhail, Hongjun Pan, Mikaela D Stewart, Kayla N Green, Joseph H Reibenspies, Giovanni M Pavan, Riccardo Capelli, Eric E Simanek
A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation. The Journal of organic chemistry (2023)
Charly Empereur-Mot, Kasper B Pedersen, Riccardo Capelli, Martina Crippa, Cristina Caruso, Mattia Perrone, Paulo Cesar Telles de Souza, Siewert-Jan Marrink, Giovanni M Pavan
Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG . Journal of chemical information and modeling (2023)
Mercedes Alfonso-Prieto, Riccardo Capelli
Machine Learning-Based Modeling of Olfactory Receptors in Their Inactive State: Human OR51E2 as a Case Study. Journal of chemical information and modeling (2023)
Mercedes Alfonso-Prieto, Riccardo Capelli
Machine Learning-Based Modeling of Olfactory Receptors in Their Inactive State: Human OR51E2 as a Case Study. Journal of chemical information and modeling 63 (10) (2023)
Fran Bačić Toplek, Emanuele Scalone, Bruno Stegani, Cristina Paissoni, Riccardo Capelli, Carlo Camilloni
Multi- e GO: Model Improvements toward the Study of Complex Self-Assembly Processes. Journal of chemical theory and computation 20 (1) (2023)
Ke Zuo, Agata Kranjc, Riccardo Capelli, Giulia Rossetti, Rachel Nechushtai, Paolo Carloni
Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design. Physical chemistry chemical physics : PCCP (2023)
Ke Zuo, Riccardo Capelli, Sybille Krauß, Rachel Nechushtai, Paolo Carloni
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET. Journal of chemical information and modeling (2023)
Fran Bačić Toplek, Emanuele Scalone, Bruno Stegani, Cristina Paissoni, Riccardo Capelli, Carlo Camilloni
Multi- e GO: Model Improvements toward the Study of Complex Self-Assembly Processes. Journal of chemical theory and computation 20 (1) (2023)
Matteo Becchi, Riccardo Capelli, Claudio Perego, Giovanni M Pavan, Cristian Micheletti
Density-tunable pathway complexity in a minimalistic self-assembly model. Soft matter 18 (42) (2022)
Elisabeth Weyandt, Luigi Leanza, Riccardo Capelli, Giovanni M Pavan, Ghislaine Vantomme, E W Meijer
Controlling the length of porphyrin supramolecular polymers via coupled equilibria and dilution-induced supramolecular polymerization. Nature communications 13 (1) (2022)
Riccardo Capelli, Alexander J Menke, Hongjun Pan, Benjamin G Janesko, Eric E Simanek, Giovanni M Pavan
Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in Solution. ACS omega 7 (34) (2022)
Kalipada Koner, Shayan Karak, Sharath Kandambeth, Suvendu Karak, Neethu Thomas, Luigi Leanza, Claudio Perego, Luca Pesce, Riccardo Capelli, Monika Moun, Monika Bhakar, Thalasseril G Ajithkumar, Giovanni M Pavan, Rahul Banerjee
Porous covalent organic nanotubes and their assembly in loops and toroids. Nature chemistry 14 (5) (2022)
Martina Crippa, Damiano Andreghetti, Riccardo Capelli, Guido Tiana
Evolution of frustrated and stabilising contacts in reconstructed ancient proteins. European biophysics journal : EBJ 50 (5) (2021)
Riccardo Capelli, Andrea Gardin, Charly Empereur-Mot, Giovanni Doni, Giovanni M Pavan
A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields. The journal of physical chemistry. B 125 (28) (2021)
Qianqian Zhao, Riccardo Capelli, Paolo Carloni, Bernhard Lüscher, Jinyu Li, Sybille Krauß
Enhanced Sampling Approach to the Induced-Fit Docking Problem in Protein-Ligand Binding: The Case of Mono-ADP-Ribosylation Hydrolase Inhibitors. Journal of chemical theory and computation (2021)
Aritra Sarkar, Tejmani Behera, Ranjan Sasmal, Riccardo Capelli, Charly Empereur-Mot, Jaladhar Mahato, Sarit S Agasti, Giovanni M Pavan, Arindam Chowdhury, Subi J George
Cooperative Supramolecular Block Copolymerization for the Synthesis of Functional Axial Organic Heterostructures. Journal of the American Chemical Society 142 (26) (2020)
Riccardo Capelli, Wenping Lyu, Viacheslav Bolnykh, Simone Meloni, Jógvan Magnus Haugaard Olsen, Ursula Röthlisberger, Michele Parrinello, Paolo Carloni
Accuracy of Molecular Simulation-Based Predictions of koff Values: A Metadynamics Study. The journal of physical chemistry letters 11 (15) (2020)
Riccardo Capelli, Anna Bochicchio, GiovanniMaria Piccini, Rodrigo Casasnovas, Paolo Carloni, Michele Parrinello
Chasing the Full Free Energy Landscape of Neuroreceptor/Ligand Unbinding by Metadynamics Simulations. Journal of chemical theory and computation 15 (5) (2019)
Filippo Marchetti, Riccardo Capelli, Francesca Rizzato, Alessandro Laio, Giorgio Colombo
The Subtle Trade-Off between Evolutionary and Energetic Constraints in Protein-Protein Interactions. The journal of physical chemistry letters 10 (7) (2019)
Riccardo Capelli, Paolo Carloni, Michele Parrinello
Exhaustive Search of Ligand Binding Pathways via Volume-Based Metadynamics. The journal of physical chemistry letters 10 (12) (2019)
Riccardo Capelli, Claudio Peri, Riccardo Villa, Arnone Nithichanon, Oscar Conchillo-Solé, Daniel Yero, Paola Gagni, Marcella Chiari, Ganjana Lertmemongkolchai, Marina Cretich, Xavier Daura, Martino Bolognesi, Giorgio Colombo, Louise Jane Gourlay
BPSL1626: Reverse and Structural Vaccinology Reveal a Novel Candidate for Vaccine Design against Burkholderia pseudomallei. Antibodies (Basel, Switzerland) 7 (3) (2018)
Riccardo Capelli, Guido Tiana, Carlo Camilloni
An implementation of the maximum-caliber principle by replica-averaged time-resolved restrained simulations. The Journal of chemical physics 148 (18) (2018)
Riccardo Capelli, Filippo Marchetti, Guido Tiana, Giorgio Colombo
SAGE: A Fast Computational Tool for Linear Epitope Grafting onto a Foreign Protein Scaffold. Journal of chemical information and modeling 57 (1) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Riccardo Capelli