Article
Analysis of AlphaFold and molecular dynamics structure predictions of mutations in serpins.
PloS one - 1 Jan 2024
Garrido-Rodríguez Pedro, Carmena-Bargueño Miguel, de la Morena-Barrio María Eugenia, Bravo-Pérez Carlos, de la Morena-Barrio Belén, Cifuentes-Riquelme Rosa, Lozano María Luisa, Pérez-Sánchez Horacio, Corral Javier
Abstract excerpt
Serine protease inhibitors (serpins) include thousands of structurally conserved proteins playing key roles in many organisms. Mutations affecting serpins may disturb their conformation, leading to inactive forms. Unfortunately, conformational consequences of serpin mutations are difficult to predict. In this study, we integrate experimental data of patients with mutations affecting one serpin with the...
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