Coupling Remeshed Particle and Phase Field Methods for the Simulation of Reaction-Diffusion on the Surface and the Interior of Deforming Geometries. - Gerardo Tauriello; Petros Koumoutsakos (SIAM J. Sci. Comput., 2013)

A comparative study of penalization and phase field methods for the solution of the diffusion equation in complex geometries. - Gerardo Tauriello; Petros Koumoutsakos (J. Comput. Phys., 2015)

The SWISS-MODEL Repository - new features and functionality. - Stefan Bienert; Andrew Waterhouse; Tjaart A. P. de Beer; Gerardo Tauriello; Gabriel Studer; Lorenza Bordoli; Torsten Schwede (Nucleic Acids Res., 2017)

SWISS-MODEL: homology modelling of protein structures and complexes. - Andrew Waterhouse; Martino Bertoni; Stefan Bienert; Gabriel Studer; Gerardo Tauriello; Rafal Gumienny; Florian T. Heer; Tjaart A. P. de Beer; Christine Rempfer; Lorenza Bordoli; Rosalba Lepore; Torsten Schwede (Nucleic Acids Res., 2018)

ProMod3 - A versatile homology modelling toolbox. - Gabriel Studer; Gerardo Tauriello; Stefan Bienert; Marco Biasini; Niklaus Johner; Torsten Schwede (PLoS Comput. Biol., 2021)

Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach. - Gianluca Palermo; Gianmarco Accordi; Davide Gadioli; Emanuele Vitali; Cristina Silvano; Bruno Guindani; Danilo Ardagna; Andrea Rosario Beccari; Domenico Bonanni; Carmine Talarico; Filippo Lunghini; Jan Martinovic; et al. (CF, 2023)

LIGATE - LIgand Generator and portable drug discovery platform AT Exascale. - Gianluca Palermo; Gianmarco Accordi; Davide Gadioli; Yuedong Zhang; Emanuele Vitali; Bruno Guindani; Danilo Ardagna; Cristina Silvano; Andrea Rosario Beccari; Domenico Bonanni; Carmine Talarico; Filippo Lunghini; et al. (CF (Companion), 2024)

Embedding-based alignment: combining protein language models with dynamic programming alignment to detect structural similarities in the twilight-zone. - Lorenzo Pantolini; Gabriel Studer; Joana Pereira; Janani Durairaj; Gerardo Tauriello; Torsten Schwede (Bioinform., 2024)