Is there any correlation between molecule sizes and their interaction energy after a molecular docking?
1
0
Entering edit mode
8.5 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 • 1.6k views
ADD COMMENT
0
Entering edit mode

See this article below:

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

especially pay attention to their formulas and Figures.

ADD REPLY
1
Entering edit mode
8.5 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.

ADD COMMENT

Login before adding your answer.

Traffic: 2375 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6