Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals. - Alessandro Genoni; Arianna Fornili; Maurizio Sironi (J. Comput. Chem., 2005)

On the suitability of strictly localized orbitals for hybrid QM/MM calculations. - Arianna Fornili; Yohann Moreau; Maurizio Sironi; Xavier Assfeld (J. Comput. Chem., 2006)

Structural alphabets derived from attractors in conformational space. - Alessandro Pandini; Arianna Fornili; Jens Kleinjung (BMC Bioinform., 2010)

GSATools: analysis of allosteric communication and functional local motions using a structural alphabet. - Alessandro Pandini; Arianna Fornili; Franca Fraternali; Jens Kleinjung (Bioinform., 2013)

Allosteric modulation of cardiac myosin dynamics by omecamtiv mecarbil. - Shaima Hashem; Matteo Tiberti; Arianna Fornili (PLoS Comput. Biol., 2017)

In silico identification of rescue sites by double force scanning. - Matteo Tiberti; Alessandro Pandini; Franca Fraternali; Arianna Fornili (Bioinform., 2018)

Heart Failure Drug Modifies the Intrinsic Dynamics of the Pre-Power Stroke State of Cardiac Myosin. - Shaima Hashem; William George Davies; Arianna Fornili (J. Chem. Inf. Model., 2020)

Binding pocket dynamics along the recovery stroke of human β-cardiac myosin. - Fariha Akter; Julien Ochala; Arianna Fornili (PLoS Comput. Biol., 2023)