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Fabrizio Marinelli's website
Home page
Musical activity
Research activity
Animations
Collection of pictures
Development of methods and tools for molecular simulations
Coupling simulations and experiments
Ensemble Biased Metadynamics: a molecular simulation method to sample experimental distributions
Restrained-average dynamics
Minimum Mode Metadynamics
Publications
Publications by topic
Machine Learning
Computational Methods and Software development
Methods to derive free energies and kinetic rates
Enhanced Sampling Methods
Methods for structural interpretation of experiments
Software development
QM/MM
Metadynamics
Adaptive Biasing Force
Replica Exchange
Umbrella Sampling
Free Energy Perturbation
Poisson-Boltzmann
pKa, binding affinity, mutation prediction
Quantum Chemistry, QM/MM
Force Field development
Membrane Transporters and Pumps
Ion Channels and Receptors
Protein Kinases
Protein-ligand binding
Protein Folding
Statistical Thermodynamic theories
Supramolecular Chirality
Invited talks & seminars
Teaching, Mentoring & Outreach activities
Conference Posters & Abstracts
Fabrizio Marinelli's website
Coupling simulations and experiments
Restrained average dynamics
Ensemble biased metadynamics
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