From pairs of most similar sequences to phylogenetic best matches. - Peter F. Stadler; Manuela Geiß; David Schaller 001; Alitzel López Sánchez; Marcos E. González Laffitte; Dulce I. Valdivia; Marc Hellmuth; Maribel Hernandez-Rosales (Algorithms Mol. Biol., 2020)

On the detection of local and global amoebas: theoretical insights and practical algorithms (Brief Announcement). - Marcos E. González Laffitte; J. René González-Martínez; Amanda Montejano (LAGOS, 2023)

Progressive Multiple Alignment of Graphs. - Marcos E. González Laffitte; Peter F. Stadler (Algorithms, 2024)

Partial Imaginary Transition State (ITS) Graphs: A Formal Framework for Research and Analysis of Atom-to-Atom Maps of Unbalanced Chemical Reactions and Their Completions. - Marcos E. González Laffitte; Klaus Weinbauer; Tieu-Long Phan; Nora Beier; Nico Domschke; Christoph Flamm; Thomas Gatter; Daniel Merkle; Peter F. Stadler (Symmetry, 2024)

Extension of Partial Atom-To-Atom Maps: Uniqueness and Algorithms. - Marcos E. González Laffitte; Tieu-Long Phan; Peter F. Stadler (WABI, 2025)

Primitive, edge-short, isometric, and pantochordal cycles. - Gover E. C. Guzman; Marcos E. González Laffitte; André Fujita; Peter F. Stadler (Art Discret. Appl. Math., 2025)

SynTemp: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction Databases. - Tieu-Long Phan; Klaus Weinbauer; Marcos E. González Laffitte; Yingjie Pan; Daniel Merkle; Jakob L. Andersen; Rolf Fagerberg; Christoph Flamm; Peter F. Stadler (J. Chem. Inf. Model., 2025)