Is there any correlation between molecule sizes and their interaction energy after a molecular docking?
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7.9 years ago

We're trying to analyze some curious data about the energy on the interactions between amino-acids and some other molecules, like tRNAs and a peptidyl-transferase center. Does the size of the receptors alone influence on the energy resulting from the docking?

Docking • 1.5k views
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See this article below:

http://www.sdsc.edu/pb/edu/pharm201/13/c27.pdf

especially pay attention to their formulas and Figures.

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7.9 years ago
João Rodrigues ★ 2.5k

Short answer: yes. The more atoms you have the more interactions you will have accounted for by the scoring function, therefore, the more 'energy' you will have.

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