Team:ACIBADEM ISTANBUL/Software

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Giant Jamboree

Software

While we were brainstorming how to estimate and report which form of our antidote, VenomXL would be more effective to neutralize the candidate venom’s, we have found out several programs that predict these types of interactions. For modelling of the synthetic antidote candidate using i-Tasser web server, testing the effect of protein modifications on the antidote candidate with Avogadro program and the antidote-venom protein candidates’ interaction using Autodock Vina program are tested. Modified proteins and according macromolecules (venoms) were prepared before docking by Autodocktools program. We have tried to merge all these tools as a Python pipeline using KNIME analytics platform to be able to automate our analysis.

Docking