TrEnCa2024 21st-22nd of November 2024, Benicassim, Spain
Thursday, 20th of November
9:23 – 9:30 Opening session.
Chair: Vicent Moliner
9:30 – 10:00 Donald Hilvert. ETH Zurich, Switzerland.
“De novo design of hydrolytic enzymes“
10:00 – 10:30 Juan Mangas. Universidad de Oviedo. Oviedo.
“Organocatalysed hydration of activated alkynes”
10:30 – 11:00 Fernando López-Gallego. CIC biomaGUNE. Donostia
“Región-directed immobilization of enzymes through structure-guide surface engineering”
11:00 – 11:30 Coffee-Tea break
Chair: Maite Roca
11:30 – 12:00 Gerardo Andres Cisneros, University of Texas at Dallas. USA.
“QM/MM Simulations with Advanced Polarizable Potentials: The case of HRP catalysis“
12:00 – 12:30 Xabi López. Euskal Erriko Universitatea.(UPV/EHU) and DIPC. Donostia.
“Intrinsically disordered peptides and regions: the importance of the conformational ensemble revealed by atomistic simulations.“
12:30 – 13:00 Susana Carregal Romero. CIC biomaGUNE. Donostia.
“Catalytic therapies using metal oxide nanoparticles as enzyme mimic“
13:00 – 13:30 Silvia Osuna. IQCC. Universitat de Girona. (Spain)
"Decoding Nature’s Catalysts for Rational Enzyme Design“
13:30 – 15:00 Lunch
Chair: Sergio Marti
15:00 – 15:30 Marco De Vivo. Istituto Italiano di Tecnologia. Italy.
“Cutinase proteins to process non-natural polyesters“
15:30 – 16:00 Victor Guallar. Barcelona Supercomputer Center. Barcelona.
“Got Plurizymes? Calm your thirst of cool enzymes “
16:00 – 16:30 Miguel Alcalde. Institute of Catalysis, CSIC. Madrid.
“When directed evolution met ancestral enzyme resurrection”
16:30 – 17:00 Coffee-Tea break
Chair: Raquel Castillo
17:00 - 17:30 Jesús Jiménez-Barbero. CICbioGUNE. Derio, Spain.
“Breaking the limits in understanding glycan recognition by NMR"
17:30 - 18:00 Per-Olof Syrén. KTH Royal Institute of Technology. Stockholm. Sweden.
“The importance of conformations in enzymatic plastic degradation“
18:00 - 18:30 Marcin Drag. Wroclaw University of Science and Technology. Poland
“In serach of perfection - the phenomenon of unnatural amino acids”
18:30 - 19.00 Marc van der Kamp. University of Bristol. United Kingdom.
Efficient multiscale simulations to aid enzyme engineering: methods, tools and applications”
20:30 – 24:00 Dinner
Friday, 21st of November
Chair: Katarzyna Świderek
09:30 – 10:00 Gerard Roelfes. Stratingh Institute for Chemistry. University of Groningen. The Netherlands.
“Designer enzymes featuring abiological catalytic sites “
10:00 – 10:30 Agnieszka Dobrzyń. Nencki Institute of Experimental Biology, PAS. Poland.
“Stearoyl-CoA Desaturase – Friend or Foe in Developing Regenerative Medicine Applications for Diabetes Treatment”
10:30 - 11:00 Masayuki Oda. Kyoto Prefectural University. Japan.
“Structural dynamics of the Ca2+-regulated cutinase and its structure-based improvement of
PET degradation activity“
11:00 – 11:30 Brunch break
Chair: Vicent Moliner
11:30 – 12:00 Qiang Cui. Boston University. USA
Ëxploring effects of distant mutations and enzyme engineering with molecular simulations?"
12:00 – 12:30 Petra Imhof. Friedrich-Alexander-Universität, Erlangen-Nürnberg. Germany.
“Can we understand specificity from enzyme-substrate interactions?
12:30 – 13:00 Patrick Aloy Institute for Research in Biomedicine (IRB). Barcelona.
“Blending biology, chemistry and AI to enable systems pharmacology“
13:00-13:15 Sandra González-Gallardo. Editor of Wiley-VCH GmbH. Germany.
“Wiley journals for the community of TrEnCa”
13:15 – 13:22 “Concluding remarks”
13:30 - 15:00 Lunch at Cafeteria