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List of works by Riccardo Capelli

A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields

scientific article published on 13 July 2021

An implementation of the maximum-caliber principle by replica-averaged time-resolved restrained simulations

scientific article published on 01 May 2018

Assessment of Mutational Effects on Peptide Stability through Confinement Simulations.

scientific article published on 17 December 2015

BPSL1626: Reverse and Structural Vaccinology Reveal a Novel Candidate for Vaccine Design Against Burkholderia pseudomallei

scientific article published on 19 July 2018

Balancing Accuracy and Cost of Confinement Simulations by Interpolation and Extrapolation of Confinement Energies.

scientific article published on 6 May 2016

Chasing the Full Free Energy Landscape of Neuroreceptor/Ligand Unbinding by Metadynamics Simulations

scientific article published on 04 April 2019

Enhanced Sampling Approach to the Induced-Fit Docking Problem in Protein–Ligand Binding: The Case of Mono-ADP-Ribosylation Hydrolase Inhibitors

scientific article published on 24 November 2021

Exhaustive Search of Ligand Binding Pathways via Volume-Based Metadynamics

scientific article published on 12 June 2019

Iterative derivation of effective potentials to sample the conformational space of proteins at atomistic scale ⬇️

scientific article published in May 2014

MonteGrappa: An iterative Monte Carlo program to optimize biomolecular potentials in simplified models

article published in 2015

SAGE: A Fast Computational Tool for Linear Epitope Grafting onto a Foreign Protein Scaffold

scientific article published on 19 December 2016

The Subtle Trade-Off between Evolutionary and Energetic Constraints in Protein–Protein Interactions

scientific article published on 18 March 2019

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