Research interests:
Molecular Interaction Potentials in drug design
Development of methodologies for the use of Molecular Interaction Potentials (MIP) in drug design. Some of these have been implemented in program MIPSim, a software package that performs molecular similarity analysis on the basis of MIP comparison. The program can be downloaded here.
http://diana.imim.es/software/mipsim/
New MIP based descriptors and methodologies
Development of second generation MIP-based molecular descriptors, specifically oriented for drug development. In this field we collaborate with Multivariate Infometric Analysis S.r.l. Members of the team of developers of the software GRID, in collaboration with Molecular Discovery Ltd.