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Molecular Modeling for Artificial Metalloenzyme Design and Optimization.
Alonso-Cotchico L, Rodrı Guez-Guerra J, Lledós A, Maréchal JD. Alonso-Cotchico L, et al. Among authors: rodri guez guerra j. Acc Chem Res. 2020 Apr 21;53(4):896-905. doi: 10.1021/acs.accounts.0c00031. Epub 2020 Apr 1. Acc Chem Res. 2020. PMID: 32233391 Review.
Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Streltsov VA, Luang S, Peisley A, Varghese JN, Ketudat Cairns JR, Fort S, Hijnen M, Tvaroška I, Ardá A, Jiménez-Barbero J, Alfonso-Prieto M, Rovira C, Mendoza F, Tiessler-Sala L, Sánchez-Aparicio JE, Rodríguez-Guerra J, Lluch JM, Maréchal JD, Masgrau L, Hrmova M. Streltsov VA, et al. Nat Commun. 2019 May 20;10(1):2222. doi: 10.1038/s41467-019-09691-z. Nat Commun. 2019. PMID: 31110237 Free PMC article.
TALAIA: a 3D visual dictionary for protein structures.
Alemany-Chavarria M, Rodríguez-Guerra J, Maréchal JD. Alemany-Chavarria M, et al. Bioinformatics. 2023 Aug 1;39(8):btad476. doi: 10.1093/bioinformatics/btad476. Bioinformatics. 2023. PMID: 37549048 Free PMC article.