Drug Design ExemplarΒΆ

In this document we present a problem from molecular biology and chemistry that requires computation to solve. The real-world problem is fairly complex. Here we simplify it to present the essence of the problem being solved. We call this problem description and it solutions an exemplar of the original real-world computation. In this document we introduce the problem and provide one form of sequential programmed solution. In a follow-up document there are parallel programming solutions using different languages and computing hardware and software.

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Introduction