Fabien Cailliez

Statistical approaches to forcefield calibration and prediction uncertainty in molecular simulation.

Pascal Pernot, Fabien Cailliez, P. Pernot, 2011, The Journal of chemical physics.

Secondary structure assignment that accurately reflects physical and evolutionary characteristics

Fabien Cailliez, Maria Vittoria Cubellis, Simon C Lovell, 2005, BMC Bioinformatics.

Calibration of forcefields for molecular simulation: Sequential design of computer experiments for building cost‐efficient kriging metamodels

Pascal Pernot, Fabien Cailliez, Arnaud Bourasseau, 2014, J. Comput. Chem..

A critical review of statistical calibration/prediction models handling data inconsistency and model inadequacy

Fabien Cailliez, Pascal Pernot, P. Pernot, 2016, 1611.04376.

Bayesian calibration of force fields for molecular simulations

Omar M. Knio, Pascal Pernot, Petros Koumoutsakos, 2020, Uncertainty Quantification in Multiscale Materials Modeling.

Probing protein mechanics: residue-level properties and their use in defining domains.

Fabien Cailliez, Richard Lavery, R. Lavery, 2004, Biophysical journal.