Our current interests include protein sequence analysis, protein structure prediction, its annotation and biomolecular modeling with emphasis on comparison of force fields employed to carry out simulations/simulations. We are particularly developing strategies to derive rules for protein-DNA interactions by analysis of existing complex structures and their simulations. We are also involved in modeling of proteins so as to facilitate their structural and functional annotation using in silico biology tools.

• Kaur R, Ahuja S, Anand A, Singh B, Stark BC, Webster DA, Dikshit KL. (2008) Functional implications of the proximal site hydrogen bonding network in Vitreoscilla hemoglobin (VHb): Role of Tyr95 (G5) and Tyr126 (H12). FEBS Lett., 582(23-24):3494-500.
• Kapoor D, Kumar V, Chandrayan SK, Ahmed S, Sharma S, Datt M, Singh B, Karthikeyan S, Guptasarma P. (2008) Replacement of the active surface of a thermophile protein by that of a homologous mesophile protein through structure-guided 'protein surface grafting' Biochim Biophys Acta. 1784(11):1771-6.
• Saxena R, Kanudia P, Datt M, Dar HH, Karthikeyan S, Singh B, Chakraborti PK. (2008) Three consecutive arginines are important for the mycobacterial peptide deformylase enzyme activity. J Biol Chem. 283(35): 23754-64.
• Bachhawat N, Singh B. (2007) Mycobacterial PE_PGRS Proteins Contain Calcium-Binding Motifs with Parallel beta-roll Folds. Genomics Proteomics Bioinformatics. 5:236-41.
• Singh, B (2004) PepBuild: A web server for building structure data for a peptide/protein. Nucleic Acid Res., 32:W559-W561.