Ikerbasque Research Professor
0000-0003-0105-4337Gonzalo Jiménez-Osés obtained his BSc in Chemistry from the University of La Rioja and continued his scientific pursuits by completing his PhD in Chemistry from the University of La Rioja, Spain.
In 2007, Dr. Jiménez-Osés joined the University of Zaragoza-CSIC as a postdoctoral associate and then as a lecturer working on heterogeneous metal catalysis. After Dr. Jiménez-Osés continued his postdoctoral studies at the University of California (UCLA), Los Angeles (USA) working with Prof. Ken Houk on computational chemistry. In 2015, Dr. Jiménez-Osés was awarded a Ramón y Cajal Fellowship, and he moved back to the University of La Rioja.
In 2019, Dr. Jiménez-Osés joined CIC bioGUNE as an Ikerbasque Research Professor and Group Leader, leading the Computational Chemistry Lab. His laboratory is focused on the study of the interphase between Chemistry, Biology and Computation, and uses state-of-the art multiscale simulation methods to predict and understand complex chemical and biological processes such as reaction mechanisms, protein structure/dynamics/function and matter properties. Besides interacting closely with leading experimental groups, his group also develops the synthetic chemistry necessary to validate all theoretical predictions.
Awards & recognitions Ikerbasque Research Professor (2023). Spanish Royal Society of Chemistry (RSEQ) Young Group Leader Award (2021). Ikerbasque Research Associate (2020). Suschem Postdoc Award (2016). Young Investigator Award, University of La Rioja (2016). Ramon y Cajal Research Fellow (2014). Ikerbasque Research Fellow (2014). Amgen Award for Postdoctoral Research, UCLA (2014). MBI Research Excellence Award, UCLA (2014). Chancellor's Award for Postdoctoral Research (honorable mention), UCLA (2013). Excellence Award in Ph.D. Research, University of La Rioja (2009).
Latest Publications
2024
2023
Computational Chemical Biology is a cross-disciplinary area devoted to the accurate atomistic simulation of chemical and biochemical phenomena, from small-molecule reactions and recognition to protein folding, dynamics, and function. It is at the core of the structure-activity relationship and uses cutting edge technology and algorithms, from quantum mechanics to artificial intelligence.
Research line 1: Protein design and engineering
We use deep-learning models for backbone and sequence design, either to improve the properties of existing proteins related to metabolic diseases and biosensors, or to create new proteins de novo with tailored functions. Our approaches allow the design and experimental validation of enzymes for unnatural reactions, engineered antibodies and therapeutic protein binders with enhanced expression levels.
Research line 2: Bioorthogonal chemistry
We develop new concepts and methods based on fundamental chemical processes for the site-selective modification of proteins and antibodies, with strong emphasis on improving stability, bioavailability, and spatiotemporal control of therapeutic Antibody-Drug Conjugates (ADCs) with potential clinical applications.
Research line 3: Drug discovery
We use in silico tools to accelerate the discovery of small molecules, peptides, small proteins with therapeutic potential for neurodegenerative disorders, cancer, and infectious diseases.
Research line 4: Glycobiology
We provide detailed insights on the mechanisms of glycosylation processes and glycan recognition, developing methods for the structural modeling of complex glycoproteins and lectins.
Collaborations
Donald Hilvert (ETH Zürich), David Baker (University of Washington), Frances Arnold, Brian Stoltz (Caltech), Wilfred van der Donk (University of Illinois Urbana-Champaign), Yi Tang, Ken Houk (UCLA), A. Jean-Luc Ayitou (University of Illinois Chicago), Gonçalo Bernardes, (University of Cambridge), Rebecca Buller (ZHAW), Josiel Domingos (Federal University of Santa Catarina), Jesús Jiménez-Barbero, Óscar Millet, Joaquín Castilla, Asís Palazón, Juan Anguita, Alberto Fernández-Tejada, Malu Martínez-Chantar, Nicola Abrescia, Mikel Valle (CIC bioGUNE), Fernando López-Gallego (CIC biomaGUNE), Francisco Corzana (University of La Rioja), Antonio J Moreno-Vargas (University of Sevilla), José Luis Mascareñas, Eugenio Vázquez (USC-CIQUS).
Links
Webpage: http://www.gonzalojimenezoses.com
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Francesca Peccati
Ikerbasque Research Fellow - Ramón y Cajal (RyC) Programme SPECIALIST -
Claudio Daniel Navo Najera
POSTDOCTORAL RESEARCHER -
Reyes Nuñez Franco
TECHNICIANS / DOCTORAL CANDIDATES -
Milagros Muriel Olaya
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Sara Alunno Rufini
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Cristina María Segovia Martín
Members
Emerging ScientistLatest Publications
Bis-CF3-bipyridine Ligands for the Iridium-Catalyzed Borylation of N-Methylamides
Marcos-Atanes, D; Jiménez-Osés, G; Mascareñas, JL;
ACS CATALYSIS
2025-04-16
Host-Guest Dynamic Behavior of Melatonin Encapsulated in β-Cyclodextrin Nanosponges
Ferrero, R; Pantaleone, S; Brunella, V; Corno, M; Jiménez-Osés, G; Peccati, F;
ACS OMEGA
2025-01-28
Doublet Spin State Mediated Photoluminescence Upconversion in Organic Radical Donor-Triplet Acceptor Dyads
OShea, JM; Yun, YJ; Jamhawi, AM; Peccati, F; Jiménez-Osés, G; Ayitou, AJL;
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2024-12-19
Exploring Glycan-Lectin Interactions in Natural-Like Environments: A View Using NMR Experiments Inside Cell and on Cell Surface
Bertuzzi, S; Lete, MG; Franconetti, A; Diercks, T; Delgado, S; Oyenarte, I; Moure, MJ; Nuñez-Franco, R; Valverde, P; Lenza, MP; Sobczak, K; Jiménez-Osés, G; Paulson, JC; Ardá, A; Ereño-Orbea, ...
CHEMISTRY-A EUROPEAN JOURNAL
2024-12-11
Mechanistic Insights into Chloride-Dependent Uncaging Reaction of Propargyl and Allene-Protected Substrates by Pd-Complexes
Ferreira, TM; Navo, CD; Agnes, JP; Cardozo, F; de Oliveira, DC; Zanotto, A; Jimenez-Osés, G; Domingos, JB;
CHEMISTRY-A EUROPEAN JOURNAL
2024-12-10
Unveiling the GT114 family: Structural characterization of A075L, a glycosyltransferase from Paramecium bursaria chlorella virus-1 (PBCV-1)
Laugieri, ME; Speciale, I; Gimeno, A; Lin, SC; Byers, BW; Poveda, A; Nunez-Franco, R; Iturrioz, I; Moure, MJ; Jimenez-Oses, G; Russo-Krauss, I; Notaro, A; Van Etten, JL; Lowary, TL; Jimenez-Barbero, ...
PROTEIN SCIENCE
2024-12-01
Enriching productive mutational paths accelerates enzyme evolution
Patsch, D; Schwander, T; Voss, M; Schaub, D; Hüppi, S; Eichenberger, M; Stockinger, P; Schelbert, L; Giger, S; Peccati, F; Jiménez-Osés, G; Mutny, M; Krause, A; Bornscheuer, UT; Hilvert, D; ...
NATURE CHEMICAL BIOLOGY
2024-09-11
AlphaFold2 Predicts Alternative Conformation Populations in Green Fluorescent Protein Variants
Núñez-Franco, R; Muriel-Olaya, MM; Jiménez-Osés, G; Peccati, F;
JOURNAL OF CHEMICAL INFORMATION AND MODELING
2024-09-03
Gold(III)-Induced Amide Bond Cleavage In Vivo: A Dual Release Strategy via π-Acid Mediated Allyl Substitution
Unnikrishnan, VB; Sabatino, V; Amorim, F; Estrada, MF; Navo, CD; Jimenez-Oses, G; Fior, R; Bernardes, GJL;
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2024-08-08
Different roles of the heterodimer architecture of galectin-4 in selective recognition of oligosaccharides and lipopolysaccharides having ABH antigens
Quintana, JI; Massaro, M; Cagnoni, AJ; Nuñez-Franco, R; Delgado, S; Jiménez-Osés, G; Mariño, KV; Rabinovich, GA; Jiménez-Barbero, J; Ardá, A;
JOURNAL OF BIOLOGICAL CHEMISTRY
2024-08-01
Interplay Between Substrate Polarity and Protein Dynamics in Evolved Kemp Eliminases
Peccati, F; Noey, EL; Houk, KN; Osuna, S; Jiménez-Osés, G;
CHEMCATCHEM
2024-06-05
Darobactin Substrate Engineering and Computation Show Radical Stability Governs Ether versus C-C Bond Formation
Woodard, AM; Peccati, F; Navo, CD; Jiménez-Osés, G; Mitchell, DA;
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2024-05-10
Interplay of chloride levels and palladium(ii)-catalyzed O-deallenylation bioorthogonal uncaging reactions
Dal Forno, GM; Latocheski, E; Navo, CD; Albuquerque, BL; St John, AL; Avenier, F; Jiménez-Osés, G; Domingos, JB;
CHEMICAL SCIENCE
2024-03-20
A Protein Misfolding Shaking Amplification-based method for the spontaneous generation of hundreds of bona fide prions
Erana, H; Sampedro-Torres-Quevedo, C; Charco, JM; Diaz-Dominguez, CM; Peccati, F; San-Juan-Ansoleaga, M; Vidal, E; Goncalves-Anjo, N; Perez-Castro, MA; Gonzalez-Miranda, E; Pineiro, P; Fernandez-Veiga, ...
NATURE COMMUNICATIONS
2024-03-08
Improving Protein Expression, Stability, and Function with ProteinMPNN
Sumida, KH; Núñez-Franco, R; Kalvet, I; Pellock, SJ; Wicky, BIM; Milles, LF; Dauparas, J; Wang, J; Kipnis, Y; Jameson, N; Kang, AL; De La Cruz, J; Sankaran, B; Bera, AK; Jiménez-Osés, G; Baker, ...
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2024-01-09
Experimental and Theoretical Analysis of the Thiol-Promoted Fragmentation of 2-Halo-3-tosyl-oxanorbornadienes
Carranza, M; Carmona, AT; Navo, CD; Robina, I; Fratta, S; Newburn, C; Jiménez-Osés, G; Moreno-Vargas, AJ;
ORGANIC LETTERS
2023-10-10
Merging the Isonitrile-Tetrazine (4+1) Cycloaddition and the Ugi Four-Component Reaction into a Single Multicomponent Process
Méndez, Y; Vasco, AV; Ivey, G; Dias, AL; Gierth, P; Sousa, BB; Navo, CD; Torres-Mozas, A; Rodrigues, T; Jiménez-Osés, G; Bernardes, GJL;
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
2023-09-20
Unraveling the Photophysical Characteristics, Aromaticity, and Stability of π-Extended Acene-Quinodimethyl Thioamides†
Yang, G; Yun, YJ; Peccati, F; Jamhawi, AM; Kamatham, N; Jockusch, S; Jiménez-Osés, G; Ayitou, AJL;
CHEMPHYSCHEM
2023-09-19
The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis
Eichenberger, M; Schwander, T; Hüppi, S; Kreuzer, J; Mittl, PRE; Peccati, F; Jimenez-Osés, G; Naesby, M; Buller, RM;
NATURE CATALYSIS
2023-08-31
Expanding the Substrate Scope of Acyltransferase LovD9 for the Biosynthesis of Statin Analogues
García-Marquina, G; Núñez-Franco, R; Grajales-Hernández, D; Jiménez-Osés, G; López-Gallego, F;
CHEMISTRY-A EUROPEAN JOURNAL
2023-06-05