Folding Pathways of a Knotted Protein with a Realistic Atomistic Force Field. - Silvio a Beccara; Tatjana Skrbic; Roberto Covino; Cristian Micheletti; Pietro Faccioli (PLoS Comput. Biol., 2013)

Computational epitope map of SARS-CoV-2 spike protein. - Mateusz Sikora; Sören von Bülow; Florian E. C. Blanc; Michael Gecht; Roberto Covino; Gerhard Hummer (PLoS Comput. Biol., 2021)

Machine-guided path sampling to discover mechanisms of molecular self-organization. - Hendrik Jung; Roberto Covino; A. Arjun; Christian Leitold; Christoph Dellago; Peter G. Bolhuis; Gerhard Hummer (Nat. Comput. Sci., 2023)

Antibody accessibility determines location of spike surface mutations in SARS-CoV-2 variants. - Sören von Bülow; Mateusz Sikora; Florian E. C. Blanc; Roberto Covino; Gerhard Hummer (PLoS Comput. Biol., 2023)

Simulation-based inference of single-molecule force spectroscopy. - Lars Dingeldein; Pilar Cossio; Roberto Covino (Mach. Learn. Sci. Technol., 2023)

Cryo-em images are intrinsically low dimensional. - Luke Evans; Octavian-Vlad Murad; Lars Dingeldein; Pilar Cossio; Roberto Covino; Marina Meila (CoRR, 2025)

PINN-MEP: Continuous Neural Representations for Minimum-Energy Path Discovery in Molecular Systems. - Magnus Petersen; Roberto Covino (CoRR, 2025)