M Xu, SC Dantu, JA Garnett, A Pandini, S Haider. Functionally important residues from graph analysis of coevolved dynamic couplings. eLife, 14:105005 [Link]
P Bibik, S Alibai, A Pandini, SC Dantu*. PyCoM: a python library for large-scale analysis of residue–residue coevolution data. Bioinformatics, 40(4):btae166; doi: [Link]
SC Dantu*, M Khalil, M Bria, C Saint‐Pierre, M Orio, D Gasparutto, G Sicoli. Cleaving DNA with DNA: cooperative tuning of structure and reactivity driven by copper ions. Advanced Science, 11(16):2306710 [Link]
N Oues, SC Dantu, RJ Patel, A Pandini. MDSubSampler: a posteriori sampling of important protein conformations from biomolecular simulations. Bioinformatics, 39(7):btad427; doi: [Link]
E Cho, M Rosa, R Anjum, S Mehmood, M Soban, M Mujtaba, K Bux, ST Moin, M Tanweer, SC Dantu, A Pandini, J Yin, H Ma, A Ramanathan, B Islam, A S J S Mey, D Bhowmik, S Haider. Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites. Journal of Chemical Information and Modeling, 61(6):3058–3073; doi: [Link]
SC Dantu*, G Sicoli. The ‘hidden side’of spin labelled oligonucleotides: Molecular dynamics study focusing on the EPR-silent components of base pairing. Journal of Magnetic Resonance, 324:10624 [Link]
R Dubey, SH Kulkarni, DM Sardesai, SC Dantu, N Malik, R Panigrahi, JD Acharya, J Chugh, S Sharma, A Kumar. Myricetin protects pancreatic β-cells from human Islet Amyloid Polypeptide (hIAPP) induced cytotoxicity and restores islet function. Biological Chemistry, 16;402(2):179-194. [Link]
A Akere, SH Chen, X Liu, Y Chen, SC Dantu, A Pandini, D Bhowmik, S Haider. Structure-based enzyme engineering improves donor-substrate recognition of Arabidopsis thaliana glycosyltransferases. Biochemical Journal, 477:2791–2805. [Link]
T Portlock, J Tyson, SC Dantu, S Rehman, R White, I McIntire, L Sewell, K Richardson, R Shaw, A Pandini, N Cianciotto, JA Garnett. Structure, dynamics and cellular insight into novel substrates of the Legionella pneumophila type II secretion system. Frontiers in Molecular Biosciences, 7:112 [Link]
JM Mouesca, H Ahouari, SC Dantu, G Sicoli. A trade-off for covalent and intercalation binding modes: a case study for Copper (II) ions and singly modified DNA nucleoside. Scientific Reports, 9:12602. [Link]
R Dubey, K Patil, SC Dantu, DM Sardesai, P Bhatia, N Malik, JD Acharya, S Sarkar, S Ghosh, R Chakrabarti, S Sharma, A Kumar. Azadirachtin inhibits amyloid formation, disaggregates pre-formed fibrils and protects pancreatic β-cells from human islet amyloid polypeptide/amylin induced cytotoxicity. Biochemical Journal, 476:889-907. [Link]
SC Dantu*, G Groenhof. Conformational dynamics of active site loops 5, 6 and 7 of enzyme Triosephosphate Isomerase: A molecular dynamics study. bioRxiv, [Link]
N Malik, SC Dantu, S Shukla, M Kombrabail, SK Ghosh, G Krishnamoorthy, A Kumar. Conformational flexibility of histone variant CENP-ACse4 regulated by histone H4: a mechanism to stabilise soluble Cse4. Journal of Biological Chemistry, 293:20273-284 [Link]
SC Dantu*, S Khavnekar, A Kale. Conformational dynamics of Peb4 exhibit “mother’s arms” chain model: A molecular dynamics study. Journal of Biomolecular Structure and Dynamics, 35:2186-96. [Link]
S Khavnekar, SC Dantu, S Sedelnikova, S Ayora, J Rafferty, A Kale. Structural insights into dynamics of RecU–HJ complex formation elucidates key role of NTR and stalk region towards formation of reactive state. Nucleic Acids Research, 45:975-98. [Link]
HPS Dhaked, A Bhattacharya, S Yadav, SC Dantu, A Kumar, D Panda. Mutation of the Arg191 in FtsZ impairs cytokinetic abscission of Bacillus subtilis. Biochemistry, 55:5754–63. [Link]
NN Kachariya, SC Dantu, A Kumar. Backbone and side chain assignments of human cell-cycle regulatory protein S-phase kinase-associated protein 1. Biomolecular NMR Assignments, 10:351-355. [Link]
SC Dantu, NN Kachariya, A Kumar. Molecular dynamics simulations elucidate the mode of protein recognition by Skp1 and the F-box domain in the Skp1-CUL1-F-box protein complex. Proteins, 84:159–171. [Link]