An overview is given of a combined chemical-computational project that has introduced students to the computational tools and approaches used in the design of combinatorial libraries in drug-discovery research. The students successfully manipulated several software programs and critically analyzed the results of the computations. They identified the most promising R groups in their design and proposed focused combinatorial libraries optimized for binding.
|Original language||English (US)|
|Number of pages||5|
|Journal||Journal of Chemical Education|
|State||Published - Jun 1 2005|
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