Division of Biocomputing, MSC11 6145, University of New Mexico School of Medicine, 2703 Frontier NE, Albuquerque, New Mexico 87131, USA. toprea@salud.unm.edu
The increasing availability of data related to genes, proteins and their modulation by small molecules has provided a vast amount of biological information leading to the emergence of systems biology and the broad use of simulation tools for data analysis. However, there is a critical need to develop cheminformatics tools that can integrate chemical knowledge with these biological databases and simulation approaches, with the goal of creating systems chemical biology.