Computational Biochemistry and Biophysics GROUP

GROUP LEADER

Jordi Villà-Freixa (jordi.villa@upf.edu)

MEMBERS

Àlex Gómez Garrido

Adrián López García de Lomana

Pau Rué

Marta Dies

Joaquim Paretas i Baqués

RESEARCH INTERESTS

The CBBL focusses on the simulation of biochemical processes using a

multiscale approach. Thus, our interests include from atomistic

simulations of biomolecular behavior (enzymatic reactivity and protein

interactions by means of molecular dynamics methods) to both

stochastic and deterministic protocols for the study of the dynamical

evolution of cellular and tissue level systems. Efforts are currently

put into the integration of the different levels of simulation.

FACILITITES

The CBBL is part of the Research Unit on Biomedical Informatics

(GRIB), a joint unit beteen the Universitat Pompeu Fabra and the

Institut Municipal d'Investigació Mèdica, located in the Barcelona

Biomedical Research Park (PRBB). The integrated research park provides

a number of possibilities for interaction between research groups,

both experimental and theoretical. In this sense the CBBL is strongly

interacting with the Developmental Biology Group, which provides

quantitative and semiquantitative data for dynamical processes during

early vertebrate development. On the computational side, the CBBL has

developed the ByoDyn and Adun prohgrams, devoted to systemic and

atomistic simulations, respectively. Both programs are open source and

ByoDyn has a web interface accessible to any interested researcher and

linked to our computational infrastructure. Such hardware

infrastructure includes a dedicated cluster of CPUs and the access to

a grid environment in the IMIM premises.

FURTHER INFORMATION