Potential Energy Functions for Structural Molecular Biology

Structural molecular biology is first and foremost an experimental science. This is quite understandable. As long as we did not know what is the structure of enzymes how could we ask questions on how do they obtain their structure or how is their structure determining their catalytic function? However, as our knowledge of facts about biological structures grows now at a tremendous rate, there is an ever-growing need to apply theory, and calculations based on theory, to supplement the experimental study of structural molecular biology.

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