[gmx-users] Announce: Project - Evolutionary Algorithm with Gromacs, Initial results

Rodrigo Faccioli rodrigo_faccioli at uol.com.br
Mon Jan 16 16:44:52 CET 2012

We would like to announce the first version of a mono-objective algorithm
that use GROMACS for Protein Structure Prediction (PSP).

Although it is initial version, it was compared with other methodologies.
These results were sent to WCCI [1] congress. We would like to share them
with who are interested. We are looking for ideas and suggestions to add to
this project.

The source-code of this algorithm is [2].

Now, we are developing NSGAII algorithm, a multi-objective concept, to work
with PSP. All objectives are computed with GROMACS.

[1] http://www.ieee-wcci2012.org/
[2] https://gitorious.org/protpred-gromacs

Best Regards,
Rodrigo Antonio Faccioli
Ph.D Student in Electrical Engineering
University of Sao Paulo - USP
Engineering School of Sao Carlos - EESC
Department of Electrical Engineering - SEL
Intelligent System in Structure Bioinformatics
Phone: 55 (16) 3373-9366 Ext 229
Curriculum Lattes - http://lattes.cnpq.br/1025157978990218
Public Profile - http://br.linkedin.com/pub/rodrigo-faccioli/7/589/a5
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