Current status and future direction of the molecular modeling industry.

During the period from 1970 through 1989, over 25 companies with products dedicated to computational chemistry were founded. By 1990, market forces within their organizations and the customer base they served began to change and these companies were forced to adapt in ways that were not anticipated.

Chemical and structural diversity in cyclooxygenase protein active sites.

A major pharmaceutical problem is designing diverse and selective lead compounds. The human genome sequence provides opportunities to discover compounds that are protein selective if we can develop methods to identify specificity determinants from sequence alone. We have analyzed sequence and structural diversity of sheep COX-1 and mouse COX-2 proteins by Active Site Profiling (ASP).