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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