Difference between revisions of "Team:IIT Madras/In-Silico"
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<figcaption>Computer Simulation of the interactions between Alyteserin(red) and NAly(green)</figcaption> | <figcaption>Computer Simulation of the interactions between Alyteserin(red) and NAly(green)</figcaption> | ||
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Revision as of 04:47, 13 September 2015
Predicting structure of a neutralising protein
To achieve our goal of achieving an antimicrobial free environment, it was necessary to inactivate the antimicrobial peptide Alyteserin. When a protein interacts with another protein, its structure is altered. This prevents the protein from performing from it's usual function. This was what we set out to do-design a small peptide that would interact with Alyteserin favourably under specified conditions. We also tried to simulate the interaction between the two peptides using GROMACS, and the results will be discussed later on on this page. First let's analyse the structure of Alyteserin.
Alyteserin Structural Features
Final structure of NAly
Interactions
GROMACS Simulation
