Training course aim

We offer a three-day hands-on workshop that intends to capture the attention of talented graduate and post-graduate students (including M.Sc., Ph.D., Post-docs and researchers) with a background in computational chemistry, bioinformatics, chemical and biochemical engineering, for the forefront computational methodologies in use nowadays, in the field of de novo Protein Design.

During the course, participants are encouraged to debate their own scientific issues with invited experts and also to explore provided tools to analyze and integrate theoretical results during the correspondent hands-on sessions.


INSTRUCT website

Workshop content

The course will be focused on the following four topics:

  • Module 1. Conceptual design of non-natural catalytic functions based on a natural-occurring protein scaffold. Mechanistic assumptions derived from QM/MM calculations on gas phase models. Theozyme models for simulating the rate-limiting transition state.
  • Module 2.  Matching and enzyme design algorithms for crafting theozymes into a suitable catalytic site. Catalophore approach for screening protein templates.
  • Module 3.   Lead candidates for the rational design and refinement steps. Molecular dynamics assisted design and analysis of key structural determinants.
  • Module 4.   Integrating sequence, structural and dynamical data into the evaluation and ranking of lead enzyme designs.



The Workshop will be held at the Library Auditorium of the Faculty of Sciences and Technology, Universidade NOVA de Lisboa (FCT-NOVA), Caparica Campus, Portugal between 13-15 September, 2016. The programme includes 8 keynote lectures given by eminent academic and industrial scientists in the field, from Switzerland, Austria, Israel, France, Germany and USA. Three practical afternoon hands-on sessions will be offered, including computer-aided exercises on industrially relevant case studies.

How to get there: FCT-NOVA from Lisbon International Airport


Framework & Sponsorship

This initiative was launched by the scientific multilateral consortium CHImerASE, on the framework of the 4th Call of the European Research Area in Industrial Biotechnology (ERA-IB-2), in partnership with the American Corners Portugal (ACP) program managed by the Department of State through the US Embassy in Lisbon, and generously co-sponsored by the INSTRUCT – Integrating Structural Biology platform, as well as the Portuguese Foundation for the Science and Technology (FCT) and the French Centre National de la Recherche Scientifique (CNRS).



How to Apply

To participate, please register (here) and send an email attaching a single pdf file with your CV, a letter of recommendation from your supervisor and a motivation letter stating your research interests, including how attending the course will help with your project goals to (subject: "CPD16 workshop application").

Registration deadline: June, 30th 2016

A limited number of 20 vacancies is available for eligible participants, which will be selected based on merit of submitted applications, by the Scientific Committee. The final list of participants will be announced to the awardees latest on July, 15th.


Registration Fees

The course is FREE* of charge for those applicants coming from INSTRUCT member countries, (including 3-night accommodation, course documentation, coffee breaks and vouchers for lunch meals). For Academics from non-Instruct countries, the course will cost €250, and for Applicants from Industry €350.

Payment: Instructions will be sent to successful applicants once the selection procedure is completed.

Accommodation: Workshop participants will be staying in the Fraústo da Silva Residence Halls located at 5 min. walking distance from the Library Auditorium of the Faculty of Sciences and Technology, Campus de Caparica (

* All selected applicants are expected to cover their own travel costs.


Scientific and Organizing Committee

Cecília Roque, José Moura and Ricardo Branco (UCIBIO-REQUIMTE, Universidade NOVA de Lisboa, PT); Karl Gruber (ACIB, University of Graz, AT) and Jürgen Pleiss (ITB, University of Stuttgart, DE).


Institutional & Industrial Partners


Logistic Sponsorship


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