{"id":766,"date":"2025-06-19T10:29:29","date_gmt":"2025-06-19T08:29:29","guid":{"rendered":"https:\/\/www.ub.edu\/cplab\/?page_id=766"},"modified":"2025-06-19T15:24:14","modified_gmt":"2025-06-19T13:24:14","slug":"annual-cbdd-meeting","status":"publish","type":"page","link":"https:\/\/www.ub.edu\/cplab\/annual-cbdd-meeting\/","title":{"rendered":"Annual CBDD Meeting"},"content":{"rendered":"\n

Annual Meeting Computational Biology and Drug Design
Computational Applications to Structure-Function and Structure-Activity<\/em>
Barcelona, 17th June 2025<\/strong><\/h1>\n\n\n\n
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Program<\/em><\/h1>\n\n\n\n
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10.00   Welcome<\/p>\n\n\n\n

  F. Javier Luque<\/p>\n\n\n\n

Chairman: Antonios Kolocouris<\/p>\n\n\n\n

10.10   Carles Curutchet (20+5)<\/p>\n\n\n\n

  Modelling the interplay between structure and spectroscopy in biosystems.<\/em><\/p>\n\n\n\n

10.35   Anna Chorianopoulou (15+5)<\/p>\n\n\n\n

MD simulations and free energy perturbation calculations on A1 and A3 adenosine receptors<\/em><\/p>\n\n\n\n

10.55  Mireia G\u00f3mez (15+5)<\/p>\n\n\n\n

Computational assessment of monomeric A\u03b2 folding: Paving the way of aggregation study<\/em>.<\/p>\n\n\n\n

11.15  Coffee Break (Room 0.1 – Edifici Gramenet)<\/p>\n\n\n\n

Chairman: Jordi Ju\u00e1rez-Jim\u00e9nez<\/p>\n\n\n\n

11.45  Antonio Viayna (20+5)<\/p>\n\n\n\n

Past, present, and future: Navigating my research pathway<\/em>.<\/em><\/p>\n\n\n\n

12.10  George Laros (15+5)<\/p>\n\n\n\n

Development of new <\/em>sEHIs<\/em> as <\/em>ureas<\/em> containing adamantane structure.<\/em><\/p>\n\n\n\n

12.30  Ozge Ergun (15+5)<\/p>\n\n\n\n

Characterization of ligand binding in human serum albumin from atomistic energy <\/em>tranfer<\/em> simulations<\/em><\/p>\n\n\n\n

12.50   Enric Gibert (10)<\/p>\n\n\n\n

  Working in a Biotech? What can I expect?<\/em><\/p>\n\n\n\n

13.00 – 14.15\u00a0\u00a0\u00a0Lunch time + coffee (Room 0.1 –\u00a0Edifici\u00a0Gramenet)<\/p>\n\n\n\n

Chairwoman: Salom\u00e9 Llabr\u00e9s<\/p>\n\n\n\n

14.15  Carolina Estarellas (20+5)<\/p>\n\n\n\n

Human gut microbiota as relevant source for targeting cardiovascular diseases: the case of <\/em>CutC:CutD<\/em> complex<\/em><\/p>\n\n\n\n

14.40  Kyriakos Georgiu (15+5)<\/p>\n\n\n\n

Free energy perturbation calculations and MD simulations on P2X7, A1R\/A3R, influenza A M2, and <\/em>Machime<\/em>Learning of <\/em>sEHI<\/em>.<\/em><\/p>\n\n\n\n

15.00  Marina Corbella (20+5)<\/p>\n\n\n\n

Modelling Dynamics: From protein engineer to drug design<\/em><\/p>\n\n\n\n

15.25  Maria Kouridaki (20+5)<\/p>\n\n\n\n

  Design and synthesis of endophilin inhibitors<\/em><\/p>\n\n\n\n

15.50  Coffee Break (Room 0.1 – Edifici Gramenet)<\/p>\n\n\n\n

Chairwoman: Carolina Estarellas<\/p>\n\n\n\n

16.20  Charis Dellis (15+5)<\/p>\n\n\n\n

Antimicrobial potential of SQ109 analogs and interpretation of their potency using\u00a0biophhysical\u00a0methods<\/em><\/p>\n\n\n\n

16.40  Marina Christofidi (15+5) <\/p>\n\n\n\n

  CG MD simulations of cholesterol \u2013 class A GPCRs<\/em><\/p>\n\n\n\n

17.00  Javier V\u00e1zquez (20+5)<\/p>\n\n\n\n

  Facing the challenges of exploring ultra-large chemical libraries<\/em><\/p>\n\n\n\n

17.25  Varbina Ivanova (15+5)<\/p>\n\n\n\n

C<\/em>omputational binding mode elucidation of FBW7 E3 ligase fragment hits through multiple-copies association studies (MAS)<\/em><\/p>\n\n\n\n

17.45\u00a0\u00a0Closing Session<\/p>\n\n\n\n

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Registration<\/em><\/h1>\n\n\n\n

Registration to this meeting is free of charge but needs to be requested in advance to Prof. Carles Curutchet at carles.curutchet (at) ub.edu<\/a><\/p>\n\n\n\n

Venue<\/em><\/h1>\n\n\n\n

The meeting will be held at the Torribera Food Science Campus facilities of the Faculty of Pharmacy and Food Sciences of the Universitat de Barcelona:<\/p>\n\n\n\n

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Sala de Graus –\u00a0Edifici Gramenet – Campus de l’Alimentaci\u00f3 de Torribera, Avda. Prat de la Riba 171, Santa Coloma de Gramenet<\/p>\n\n\n\n

The campus can be easily accessed from Singuerlin L9N metro station:<\/p>\n\n\n\n