Key issues in the computational simulation of GPCR function: representation of loop domains. - Ernest L. Mehler; Xavier Periole; S. A. Hassan; Harel Weinstein (J. Comput. Aided Mol. Des., 2002)

Probing the free energy landscape of the FBP28WW domain using multiple techniques. - Xavier Periole; Lucy R. Allen; Kamil Tamiola; Alan E. Mark; Emanuele Paci (J. Comput. Chem., 2009)

A direct interaction of cholesterol with the dopamine transporter prevents its out-to-inward transition. - Talia Zeppelin; Lucy Kate Ladefoged; Steffen Sinning; Xavier Periole; Birgit Schiøtt (PLoS Comput. Biol., 2018)

Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation. - Lisbeth Ravnkilde Kjølbye; Anne Laustsen; Mikkel Vestergaard; Xavier Periole; Leonardo De Maria; Allan Svendsen; Andrea Coletta; Birgit Schiøtt (J. Chem. Inf. Model., 2019)