Program

	Young Researchers Symposium
10:00	Registration
	SESSION I YRS Chair: Carla Calvó and Laia Vicens
11:00	Development of a microfluidics-based assay for the directed evolution of artificial metalloenzymes using a cell surface-display strategy Vallapurackal, J. University of Basel
11:15	Extensive prefolding studies unlock enantioselective cyclization of challenging substrates by Squalene-hopene cyclase Schneider, A. University of Stuttgart
11:30	A promiscuous and catalytically proficient de novo carbene transferase Stenner, R. University of Bristol
11:45	Reduction of nitrous oxide homogeneously catalyzed by ruthenium hydride pincer complexes Escayola, S. Universitat de Girona
12:00	Coffee Break
	SESSION II YRS Chair: Marc Montilla
12:15	Enzymatic engineering of acyltransferase LovD García-Marquina, G. Universidad de La Rioja
12:30	Computational study of benzoylformate decarboxylase: mechanism and selectivity Planas, F. Stockholm University
12:45	Three-shell heteroleptic supramolecular Matryoshka to induce the regioselective trans-3 bis-functionalization of C60 Ubasart, E. Universitat de Girona
13:00	A Panel of Novel Cytochrome P450s generated by Ancestral Sequence Reconstruction of CYP116B Family Jones, B.S. University of Manchester
13:15	Lunch
	SESSION III YRS Chair: Eila Serrano
14:30	Engineering enzyme surfaces for the fabrication of robust and highly active heterogeneous biocatalysts Rodríguez-Abetxuko, A. CIC nanoGUNE and POLYMAT
14:45	Rational protein design of bacterial beta-etherases to identify catalytic key residues Stirz, M. Technical University of Braunschweig
15:00	An investigation into the reactivity and selectivity of imine reductases and reductive aminases Palmer, R.B. University of Manchester
15:15	Molecular modelling tools for metalloenzyme design Tiessler Sala, L. Universitat Autònoma de Barcelona
15:30	Coffee Break
	SESSION IV YRS Chair: Marco Cianfanelli
15:45	Combining gold(I) complexes and enzymes in a cascade reaction towards optically active aromatic allylic alcohols González-Granda, S. University of Oviedo
16:00	Regio- and stereoselectivity emerging from the conformational landscape of laboratory-evolved p450 enzyme D’Amore, L. Universitat de Girona
16:15	Human Proteasome inhibitors: Understanding the reaction mechanism of the clinical candidate salinosporamide A Serrano-Aparicio, N. Universitat Jaume I
16:30	Enhancing catalysis of iron heme metalloproteins using non-canonical amino acids Tinzl, M. ETH Zürich
16:45	Open science — Open discussion
17:45	Young Research Sympossium Prizes
TBC	Welcome reception

08:15	Opening
	SESSION I
09:00	Keynote: Prof. Kazlauskas, R. University of Minnesota Engineering and evolving esterases into lyases
09:30	Engineering glycerol dehydrogenases to catalyze the selective oxidation of alkyl and aryl glyceryl monoethers. Lopez-Gallego, F. Heterogeneous biocatalysis laboarotary. CIC biomaGUNE.
09:50	Engineering lanthanide-dependent artificial metalloenzymes Zeymer,C. TU Munich
10:10	Keynote: Prof. Hauer, B. Universitaet Stuttgart. Strategies to engineer selective enzymes
10:50	Coffee Break
	SESSION II
11:20	Keynote: Prof. Schallmey, A. TU Braunschweig Novel enzymes for biocatalytic applications: Selective epoxide ring-opening and lignin depolymerisation
11:50	Integrative computational studies of artificial metalloenzymes Maréchal, J. Universitat Autònoma de Barcelona.
12:10	Spectroscopic and reactivity comparisons between nonheme oxoiron(IV) and oxoiron(V) species bearing the same ancillary ligand Dantignana, V. Institut de Química Computacional i Catàlisi (IQCC).
12:30	Plenary: Prof. Ward, T. University of Basel. Artificial metalloenzymes for in vivo catalysis: challenges and opportunities
13:20	Lunch
	SESSION III
15:20	Keynote: Prof. Kamerlin, L. Uppsala University Conformational Dynamics and the Evolution of New Enzyme Functions
15:50	Computational characterization of enzymatic reactive intermediates for the discovery and design of new biocatalytic activities Garcia-Borràs, M. Institut de Química Computacional i Catàlisi (IQCC), Universitat de Girona (UdG).
16:10	Natural Product Synthesis Through Biocatalytically Generated o-Quinone Methides Romero, E. University of Michigan.
16:30	Plenary: Prof. Ramos, M.J. University of Porto. Studies on enzyme-catalysed reactions
17:20	Poster Session

	SESSION IV
09:00	Keynote: Prof. Rovira, C. University of Barcelona Catalysis by natural and engineered carbohydrate-active enzymes
09:30	Computationally designed libraries expand the functional scope of enzymes and binders Khersonsky, O. Weizmann Institute of Science.
09:50	Deciphering the ancestral conformational ensemble in tryptophan synthase for stand-alone function Maria-Solano, M. A. Institut de Química computacional i Catàlisi (IQCC) and Departament de Química, Universitat de Girona (UdG).
10:10	Plenary: Prof. Janssen, D. University of Groningen Enzyme tailoring supported by computational design and molecular dynamics
11:00	Coffee Break
	SESSION V
11:30	Keynote: Prof. Roelfes, G. University of Groningen Designing (metallo-)enzymes for catalysis of new-to-nature reactions
12:00	Supramolecular fullerene sponges as catalytic masks for regioselective funtionalization of C60 Fuertes-Espinosa, C. Institut de Química Computacional i Catàlisi (IQCC), Departament de Química, Universitat de Girona.
12:20	A biocatalytic cascade for the synthesis of mono- and disubstituted n-alkylated piperidines Harawa, V. Manchester Institute of Biotechnology (MIB).
12:40	Plenary: Prof. Flitsch, S. University of Manchester. ✪ Sponsored by Codexis Design and implementation of de novo biosynthetic cascades
13:30	Lunch
15:45	Excursion: Dalí Theatre-Museum

	SESSION VI
09:00	Keynote: Mascareñas, J.L. CIQUS, Universidade de Santiago de Compostela Translating transition metal catalysis to biological environments
09:30	Enhancing a de novo enzyme activity by ultra-low-throughput sequence screening GuIded By Computational Design Romero-Rivera, A. Science for Life Laboratory, Department of Chemistry − BMC, Uppsala University.
09:50	Evolving artificial metalloenzymes with tailor-made properties Basler, S. Laboratory of Organic Chemistry, ETH Zürich.
10:10	Keynote: Prof. Turner, N. Manchester Institute of Biotechnology Discovery of a multi-functional redox biocatalyst enables new synthetic pathways
10:50	Coffee Break
	SESSION VII
11:20	Keynote: Dr. Swiderek, K. University Jaume I Theoretical studies of reactivity in cellular processes
11:50	Laccase-mediator systems for the stereoselective multienzymatic synthesis of alcohols and amines Gotor-Fernández, V. University of Oviedo.
12:10	Computationally exploring substrate promiscuity in in-vitroevolved ADH-A Corbella, M. Uppsala University.
12:30	Plenary: Hilvert, D. ETH Zurich ✪ Sponsored by ChemBioChem Design and evolution of artificial metalloenzymes.
13:20	Lunch
	SESSION VIII
15:20	Keynote: Prof. Chica, R. University of Ottawa Multistate enzyme design
15:50	Thermostabilization of enzymes by in vivo folding selection in Thermus thermophilu Maté, D. Universidad Autónoma de Madrid.
16:10	Using the Mechanism and Catalytic Site Atlas (M-CSA) to understand enzyme evolution and to annotate new enzyme mechanism proposals Ribeiro, A. EMBL-EBI.
16:30	PluriZymes: Designing the next generation of biocatalysis Santiago, G. Barcelona Supercomputing Center.
16:30	Designing self-suficient enzyme fusions of evolved unspecific peroxygenase and aryl alcohol oxidase in yeast Gomez de Santos, P. Department of Biocatalysis, Institute of Catalysis, CSIC.
16:30	Evolution of correlated networks in a designer enzyme Bunzel, H. School of Biochemistry, University of Bristol;Centre of Computational Chemistry, School of Chemistry, University of Bristol.
17:30	Closing and Awards ceremony
20:30	Gala Dinner - Hotel Palau de Bellavista

SOCIAL PROGRAM

Dalí Theatre-Museum | May 6th 15:45 - Included in registration

Meeting point

There will be coach service to get to the Museum.
Meeting point: Venue - Centre Cultural La Mercè (entrance)

Address: Pujada de la Mercè, 12, 17004 Girona

Find more information on the Social Program here.

Gala Dinner | May 7th 20:30 - Included in registration

Meeting point

Meeting point: Hotel Palau de Bellavista
Address: Pujada Polvorins, 1 17004 Girona