Professional employment and academic education

2022 Scientist at the Institute of Chemistry and Metabolomics, University of Lübeck, Germany
2016 Research Associate at Max Planck Institute for Multidisciplinary Sciences, Göttingen, Germany
2011 Postdoctoral Fellow at National Institute of Health, Bethesda, USA
2005 PhD student in Chemical Sciences, Tata Institute of Fundamental Research, Mumbai, India

Research Topics

NMR-based Metabolomics

  • Metabolic fluxes, and Body-fluid analysis

Protein NMR

  • Protein structure, dynamics, interactions, and functions

Recent Publications


  1. Vilaplana-Lopera, N., Cuminetti, V., Almaghrabi, R., Papatzikas, G., Rout, A. K., Jeeves, M., Gonzàlez, E., Alyahyawi, Y., Cunningham, A., Erdem, A., Schnütgen, F., Raghavan, M., Potluri, S., Cazier, J., Schuringa, J. J., Reed, M. A., Arranz, L., Günther, U. L., Garcia, P. (2022) Crosstalk between AML and cells triggers acetate secretion through the metabolic rewiring of stromal cells. eLife; 11:e75908. DOI: 10.7554/eLife.75908
  2. Patarroyo, ME., Patarryo, MA., Alba, MP., Pabon, L., Rugeles, MT., Jimenez, WA., Florez, L., Bermudez, A., Rout, A. K., Griesinger, C., Suarez, C., Conde, JA., Reyes, C., Avendano, C., Tabares, L., Velandia, E., Varela, Y., Camargo, A., Silva, Y., Forero, M., Gil, J., Gonzalez, E. (2021) The first chemically-synthesised, highly immunogenic peptides against SARS_CoV-2 peptides in DNA genotyped Aotus monkeys for Human use. Front Immunol.; 12:724060.DOI: 10.3389/fimmu.2021.724060
  3. Smith, C., Mazur, A., Rout, A. K., Lee, D., Groot, B., and Griesinger, C. (2019) Enhancing NMR derived ensembles with kinetics on multiple timescales. Journal of Biomolecular NMR; 74(1):27-43. DOI: 10.1007/s10858-019-00288-8
  4. Rout, A. K., Xufeng, Wu, Mary, S., Strub, M. P., Hammer III, J. A., and Tjandra, N. (2018) Structure of melanoregulin reveals a role for cholesterol recognition in the protein’s ability to promote Dynein function. Structure; 26(10):1373-83.DOI: 10.1016/j.str.2018.07.009
  5. Rout, A. K., Singh, H., Sunita, P., Vandana, R., Saurabh, G., Minda, R., Rao, B. J., and Kandala, VR, Chary. (2018) Structural characterization of a novel KH-domain plant chloroplast endonuclease. Scientific Reports; 8(1):13750-64.DOI: 10.1038/s41598-018-31142-w
  6. Rout, A. K., Strub, M. P., Piszczek, G., and Tjandra, N. (2014) Structure of Transmembrane domain of Lysosomal-associated Membrane Protein Type 2a (LAMP-2A) reveals key features for substrate specificity in Chaperone Mediated Autophagy. J. Biol. Chem.; 289(51):35111-23. DOI: 10.1074/jbc.M114.609446
  7. Rout, A. K., Patel, S., Somlata, S. M., Saraswathi, D., Bhattacharya, A., and Kandala, VR, Chary. (2013) Functional manipulation of a calcium binding protein from E. histolytica guided by paramagnetic NMR. J. Biol. Chem.; 288(32):23473-87. DOI: 10.1074/jbc.M112.411058
  8.  Rout, A. K., Padhan, N., Barnwal, R. P., Bhattacharya, A., and Kandala, VR, Chary. (2011) Calmodulin like protein from E. histolytica: solution structure and calcium binding properties of a partially folded protein. Biochemistry; 50(2):181-93.DOI: 10.1021/bi101411q
  9. Rout, A. K., Barnwal, R. P., Agarwal, G., and Kandala, VR, Chary. (2010) Root-mean-square-deviation based rapid backbone resonance assignments in metal bound proteins in different states. Magnetic Resonance in Chemistry; 48(10):793-7. DOI: 10.1002/mrc.2664
  10. Barnwal, R. P., Rout, A. K., Kandala, VR, Chary., and Atreya, H. S. (2008) Rapid measurement of Pseudo-contact shifts in Metallo-protein using a suit of GFT-experiments. The Open Magnetic Resonance Journal; 1:16-28.(
  11. Barnwal, R. P., Rout, A. K., Atreya, H. S., and Kandala, VR, Chary. (2008) Identification of C-terminal neighbours of amino acid residues without an aliphatic 13Cg as an aid to NMR assignments in proteins. Journal of Biomolecular NMR; 41:191-7. DOI: 10.1007/s10858-008-9254-2
  12. Barnwal, R. P., Rout, A. K., Atreya, H. S., and Kandala, VR, Chary. (2007) Rapid measurement of 3J(HNHa) and 3J(NHb) coupling constants in polypeptides. Journal of Biomolecular NMR; 39:259-63. DOI: 10.1007/s10858-007-9200-8