Investigation of the 3D structures and properties of biological molecules, particularly proteins and nucleic acids, in atomic detail and their correlation with biological activity; Protein Engineering; Development of NMR methodologies and algorithms for NMR assignments and 3D structural analysis.

S. M. Mustafi, R. B. Mutalik, R. Jain, K. Chandra, A.  Bhattacharya and K.V.R Chary,* Structural characterization of a novel Ca²⁺-binding protein from Entamoeba histolytica: Structural basis for the observed functional differences with its isoform. (2009),  J. Bio. Inorg. Chem., 14, 471-483

Aravind P, Chandra K, Reddy PP, Jeromin A, Chary KVR^* and Sharma Y (2008) Regulatory and structural EF-hand motifs of neuronal calcium sensor-1: Mg²⁺ modulates Ca²⁺-binding, Ca²⁺-induced conformational dynamics and equilibrium unfolding transitions, J. Mol. Biology 376 1100-15

Barnwal RP, Atreya HS*, Chary KVR^*   (2008) Chemical shift based editing of CH₃ groups in fractionally ¹³C-labelled proteins using GFT (3, 2)D CT-HCCH-COSY: stereospecific assignments of CH₃ groups of Val and Leu residues., J Biomol NMR 42 149-54.

Barnwal RP, Ashok K. Rout, H. S. Atrya,* Chary KVR^*   (2008) Identification of C-terminal neighbours of amino acid residues without an aliphatic ¹³C^g as an aid to NMR assignments in proteins. J Biomol NMR 4 191-7.

Barnwal RP,  Rout AK, Chary KVR^* and Atreya HS, (2008) Rapid Measurement of pseudocontact shifts in paramagentic proteins by GFT NMR spectroscopy., The Open Magnetic Resonance Journal 1 16-28.

Rapid measurement of ³J(H^N-H^a) and ³J(N-H^b) coupling constants in polypeptides. (2007), R.  P.  Barnwal,  Ashok K. Rout,  K. V. R. Chary and H. S. Atreya, J. Biomol. NMR, 39(4), 259-63

S. M. Mustafi, S.  Mukherjee, K. V. R. Chary^*, Cristina Del  Bianco and Claudio Luchinat (2004) Energetics and mechanism of Ca²⁺ displacement by lanthanides in a calcium binding protein., Biochemistry, 43, 9320-9331.

Rani Parvathy.V., Sukesh R. Bhaumik, K. V. R. Chary*, G.  Govil, Keliang Liu, Frank B. Howard and H. Todd Miles, NMR Structure of a parallel stranded DNA duplex at atomic resolution. (2002), Nucleic Acids Res., 30, 1500-1511

H.S. Atreya, S. C. Sahu, A. Bhattacharya, K. V. R Chary^* and G. Govil_, NMR derived solution structure of an EF-hand Calcium binding protein from Entamoeba histolytica. (2001), Biochemistry 40, 14392-14403.

H. S. Atreya and K.V.R.Chary,* Selective ‘unlabeling’ of amino acids in fractionally ¹³C labeled proteins: An approach for stereospecific NMR assignments of CH₃  groups in Val and Leu residues. (2001), J. Biomol. NMR., 19, 267-272.

H. S. Atreya, S. C. Sahu, K.V.R.Chary,* and G. Govil, A Tracked AuTomated Assignments in PROteins (TATAPRO). (2000),  J. Biomol. NMR., 17, 125-136.

Mahua Ghosh, N. Vinay Kumar, Umesh Varshney and K. V. R. Chary^*, Structural basis for Uracil DNA glycosylase interaction with uracil: NMR study. (2000), Nucleic Acids Res., 28, 1906-1912.

S. C. Sahu, A. Bhattacharya, K.V. R. Chary,* and G. Govil, Secondary structure of a calcium binding protein (CaBP) from Entamoeba histolytic. (1999), FEBS Letters., 459, 51-56.

Karthikeyan G, K. V. R. Chary and Basuthkar J Rao, Fold-back structures at distal end influence DNA slippage at proximal end during mononucleotide repeat expansions.  (1999), Nucleic Acids Res., 27, 3851-3858.

S. R. Baumik, K. V. R. Chary^*, G. Govil, L. Keliang, and H.T. Miles, NMR characterization of a triple-stranded complex formed by homo-purine and homo-pyrimidine DNA strands at 1:1 molar ratio and acidic pH. (1995), Nucleic Acids Res., 23,  4116-4121.

K. V. R. Chary^*, V.K. Rastogi, & G. Govil, An Efficient 2D NMR Technique HELCO for Heteronuclear [³¹P-¹H] Longrange Correlation. (1993), J. Magn. Reson., B 102, 81-83.

K. V. R. Chary, G. Otting and K. Wuthrich, Mesurement of small heteronuclear ¹H-¹⁵N coupling constants in ¹⁵N labelled proteins by 3D H_NNH_AB–COSY. (1991), J. Magn. Reson., 93, 218-224.

K. V. R. Chary^* and Sandeep Modi, Analysis of intrasugar interproton NOESY cross-peaks as an aid to determine sugar geometries in DNA fragments. (1988), FEBS Lett., 233, 319-325.

K. V. R. Chary^*, R.V. Hosur, Tan zu-kun, G. Govil and H.T. Miles, Novel solution conformation of DNA observed in d-GAATTCGAATTC by 2D NMR. (1987), Biochemistry, 26, 1315-1322.