Parameter optimized surfaces (POPS): analysis of key interactions and conformational changes in the ribosome. - Franca Fraternali; Luigi Cavallo (Nucleic Acids Res., 2002)

POPS: a fast algorithm for solvent accessible surface areas at atomic and residue level. - Luigi Cavallo; Jens Kleinjung; Franca Fraternali (Nucleic Acids Res., 2003)

Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine. - Albert Poater; Ana Gallegos Saliner; Ramon Carbó-Dorca; Jordi Poater; Miquel Solà; Luigi Cavallo; Andrew P. Worth (J. Comput. Chem., 2009)

COCOMAPS: a web application to analyze and visualize contacts at the interface of biomolecular complexes. - Anna Vangone; Raffaele Spinelli; Vittorio Scarano; Luigi Cavallo; Romina Oliva (Bioinform., 2011)

Deactivation of Ru-benzylidene Grubbs catalysts active in olefin metathesis. - Albert Poater; Francesco Ragone; Manel Garrido; Sònia Pérez; Manel Poch; Andrea Correa; Luigi Cavallo (ICCS, 2011)

CONS-COCOMAPS: a novel tool to measure and visualize the conservation of inter-residue contacts in multiple docking solutions. - Anna Vangone; Romina Oliva; Luigi Cavallo (BMC Bioinform., 2012)

Steric Maps to Evaluate the Role of Steric Hindrance On the IPr NHC Ligand. - Albert Poater; Laura Falivene; César A. Urbina-Blanco; Simone Manzini; Steven P. Nolan; Luigi Cavallo (ICCS, 2013)

MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectories. - Safwat Abdel-Azeim; Edrisse Chermak; Anna Vangone; Romina Oliva; Luigi Cavallo (BMC Bioinform., 2014)

CONSRANK: a server for the analysis, comparison and ranking of docking models based on inter-residue contacts. - Edrisse Chermak; Andrea Petta; Luigi Serra; Anna Vangone; Vittorio Scarano; Luigi Cavallo; Romina Oliva (Bioinform., 2015)

The CASP13-CAPRI targets as case studies to illustrate a novel scoring pipeline integrating CONSRANK with clustering and interface analyses. - Didier Barradas-Bautista; Zhen Cao; Luigi Cavallo; Romina Oliva (BMC Bioinform., 2020)

Influence of the complete basis set approximation, tight weighted-core, and diffuse functions on the DLPNO-CCSD(T1) atomization energies of neutral H,C,O-compounds. - Yury Minenkov; Luigi Cavallo; Kirk A. Peterson (J. Comput. Chem., 2023)