Is there a tutorial or a paper that decsribes how to perform principal component analysis using GROMACS and how to interpret the data obtained?
For the Interpretation of PCA based FEL analysis results, you can see our attached publications
1. Kannan M, Manivel P, Nishith Saurav Topno, Manikandan J, Krishna R, Structural perspective of ARHI mediated inhibition of STAT3 signaling: An insight into the inactive to active transition of ARHI and its interaction with STAT3 and importinβ (2015). Cellular Signalling, 27(4), 739-755. DOI: 10.1016/j.cellsig.2014.11.036
2. Manikandan J, Lakshmanan L, Karthikeyan M, and Krishna R. Virtual screening assisted discovery of novel natural products to inhibit the catalytic mechanism of Mycobacterium tuberculosis InhA. Journal of Molecular Liquids.
3. Manikandan J, and Krishna R. An integrated computational investigation to unveil the structural impacts of mutation on the InhA structural gene of Mycobacterium tuberculosis (2020). Journal of Molecular Graphics & Modelling. DOI: 10.1016/j.jmgm.2020.107768
4. Rajalakshmi K, Manikandan J, Adithan C, and Krishna R. Insight into the structural and functional analysis of the impact of missense mutation on Cytochrome P450 oxidoreductase (2020). Journal of Molecular Graphics & Modelling. DOI:10.1016/j.jmgm.2020.107708.
5. Manikandan J, Savita Kumari, R, and Krishna, R. Structural insight into conformational dynamics of non-active site mutations in KasA: A Mycobacterium tuberculosis target protein (2019). Gene 720. DOI: 10.1016/j.gene.2019.144082.
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