Abstract: A computational platform is presented in this
contribution. It has been designed as a virtual laboratory to be used
for exploring optimization algorithms in biological problems. This
platform is built on a blackboard-based agent architecture. As a test
case, the version of the platform presented here is devoted to the
study of protein folding, initially with a bead-like description of the
chain and with the widely used model of hydrophobic and polar
residues (HP model). Some details of the platform design are
presented along with its capabilities and also are revised some
explorations of the protein folding problems with different types of
discrete space. It is also shown the capability of the platform to
incorporate specific tools for the structural analysis of the runs in
order to understand and improve the optimization process.
Accordingly, the results obtained demonstrate that the ensemble of
computational tools into a single platform is worthwhile by itself,
since experiments developed on it can be designed to fulfill different
levels of information in a self-consistent fashion. By now, it is being
explored how an experiment design can be useful to create a
computational agent to be included within the platform. These
inclusions of designed agents –or software pieces– are useful for the
better accomplishment of the tasks to be developed by the platform.
Clearly, while the number of agents increases the new version of the
virtual laboratory thus enhances in robustness and functionality.
Abstract: Multi-agent system approach has proven to be an effective and appropriate abstraction level to construct whole models of a diversity of biological problems, integrating aspects which can be found both in "micro" and "macro" approaches when modeling this type of phenomena. Taking into account these considerations, this paper presents the important computational characteristics to be gathered into a novel bioinformatics framework built upon a multiagent architecture. The version of the tool presented herein allows studying and exploring complex problems belonging principally to structural biology, such as protein folding. The bioinformatics framework is used as a virtual laboratory to explore a minimalist model of protein folding as a test case. In order to show the laboratory concept of the platform as well as its flexibility and adaptability, we studied the folding of two particular sequences, one of 45-mer and another of 64-mer, both described by an HP model (only hydrophobic and polar residues) and coarse grained 2D-square lattice. According to the discussion section of this piece of work, these two sequences were chosen as breaking points towards the platform, in order to determine the tools to be created or improved in such a way to overcome the needs of a particular computation and analysis of a given tough sequence. The backwards philosophy herein is that the continuous studying of sequences provides itself important points to be added into the platform, to any time improve its efficiency, as is demonstrated herein.