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Results: 105

Esther Pruna Cortada, Sílvia Osuna
Shortest Path Map correlation-based tool for capturing functionally relevant allosteric networks and its application in enzyme design
[], 2025, 28, 383-395
DOI: 10.5802/crchim.389
OpenAccess: Link
Keywords: Biocatalysis, Enzyme design

Sophie Staar, Miquel Estévez-Gay, Felix Kaspar, Sílvia Osuna, Anett Schallmey
Engineering of Conserved Sequence Motif 1 Residues in Halohydrin Dehalogenase HheC Simultaneously Enhances Activity, Stability, and Enantioselectivity
ACS Catal., 2025, [], 5257-5272
DOI: 10.1021/acscatal.5c00819
OpenAccess: Link
Keywords: Enzyme design

Jiacheng Li, Cristina Duran, Balázs Pogrányi, Katy A.S. Cornish, Jared Cartwright, Sílvia Osuna, William P. Unsworth, Gideon Grogan
Divergent Oxidation Reactions ofE ‐ andZ ‐Allylic Primary Alcohols by an Unspecific Peroxygenase
Angew Chem Int Ed, 2025, [], ASAP-
DOI: 10.1002/anie.202422241
OpenAccess: Link
Keywords: Biocatalysis, Enzyme design

Hiva Doustmohammadi, Janet Sanchez, Dhani Ram Mahato, Sílvia Osuna
Evolution Enhances Kemp Eliminase Activity by Optimizing Oxyanion Stabilization and Conformational Flexibility
Chemistry A European J, 2025, 31, ASAP-
DOI: 10.1002/chem.202403747
OpenAccess: Link
Keywords: Biocatalysis, Enzyme design

Sílvia Osuna, Rommie E. Amaro, Johan Åqvist, Ivet Bahar, Federica Battistini, Adam Bellaiche, Daniel Beltran, Philip C. Biggin, Massimiliano Bonomi, Gregory R. Bowman, Richard A. Bryce, Giovanni Bussi, Paolo Carloni, David A. Case, Andrea Cavalli, Chia-En A. Chang, Thomas E. Cheatham III, Margaret S. Cheung, Christophe Chipot, Lillian T. Chong, Preeti Choudhary, G. Andres Cisneros, Cecilia Clementi, Rosana Collepardo-Guevara, Peter Coveney, Roberto Covino, … , Martin Zacharias & Modesto Orozco
The need to implement FAIR principles in biomolecular simulations
Nat Methods, 2025, ASAP, []
10.1038/s41592-025-02635-0

Travis Vander Steen, Ingrid Espinoza, Cristina Duran, Guillem Casadevall, Eila Serrano-Hervás, Elisabet Cuyàs, Sara Verdura, George Kemble, Scott H. Kaufmann, Robert McWilliams, Sílvia Osuna, Daniel D. Billadeau, Javier A. Menendez, Ruth Lupu
Fatty acid synthase (FASN) inhibition cooperates with BH3 mimetic drugs to overcome resistance to mitochondrial apoptosis in pancreatic cancer
Neoplasia, 2025, 62, 101143-
DOI: 10.1016/j.neo.2025.101143
OpenAccess: Link
Keywords: Enzyme design

Thomas Kinateder, Lukas Drexler, Cristina Duran, Sílvia Osuna, Reinhard Sterner
A naturally occurring standaloneTrpB enzyme provides insights into allosteric communication within tryptophan synthase
Protein Science, 2025, 34, ASAP-
DOI: 10.1002/pro.70103
OpenAccess: Link
Keywords: Enzyme design

Cristina Duran, Thomas Kinateder, Caroline Hiefinger, Reinhard Sterner, Sílvia Osuna
Altering Active-Site Loop Dynamics Enhances Standalone Activity of the Tryptophan Synthase Alpha Subunit
ACS Catal., 2024, 14, 16986-16995
DOI: 10.1021/acscatal.4c04587
OpenAccess: Link
Keywords: Biocatalysis, Enzyme design

Julian Ludwig, Christian Curado-Carballada, Stephan C. Hammer, Andreas Schneider, Svenja Diether, Nico Kress, Sergi Ruiz-Barragán, Sílvia Osuna, Bernhard Hauer
Controlling Monoterpene Isomerization by Guiding Challenging Carbocation Rearrangement Reactions in Engineered Squalene‐Hopene Cyclases
Angew Chem Int Ed, 2024, 63, e202318913
DOI: 10.1002/anie.202318913
OpenAccess: Link
Keywords: Biocatalysis, Enzyme design

Francesca Peccati, Elizabeth L. Noey, K.N. Houk, Sílvia Osuna, Gonzalo Jiménez-Osés
Interplay Between Substrate Polarity and Protein Dynamics in Evolved Kemp Eliminases
ChemCatChem, 2024, [], e202400444
DOI: 10.1002/cctc.202400444
OpenAccess: Link
Keywords: Enzyme design