Molecular simulation of N-acetylneuraminic acid analogs and molecular dynamics studies of cholera toxin-Neu5Gc complex JJ Blessy, DJS Sharmila Journal of Biomolecular Structure and Dynamics 33 (5), 1126-1139, 2015 | 41 | 2015 |
ProCaff: protein-carbohydrate complex binding affinity database. SS NR, K J, Jino Blessy, Veluraja, M Gromiha Bioinformatics (Oxford, England), 2020 | 13 | 2020 |
Prediction of protein–carbohydrate complex binding affinity using structural features NR Siva Shanmugam, J Jino Blessy, K Veluraja, MM Gromiha Briefings in bioinformatics 22 (4), bbaa319, 2021 | 12 | 2021 |
Molecular dynamics of sialic acid analogues complex with cholera toxin and DFT optimization of ethylene glycol-mediated zinc nanocluster conjugation DJS Sharmila, J Jino Blessy Journal of Biomolecular Structure and Dynamics 35 (1), 182-206, 2017 | 11 | 2017 |
Molecular modeling of methyl-α-Neu5Ac analogues docked against cholera toxin-a molecular dynamics study JJ Blessy, DJS Sharmila Glycoconjugate journal 32, 49-67, 2015 | 10 | 2015 |
Protein–carbohydrate complexes: Binding site analysis, prediction, binding affinity and molecular dynamics simulations K Veluraja, NRS Shanmugam, JJ Blessy, RA Jeyaram, ... Protein interactions: computational methods, analysis and applications, 299-332, 2020 | 5 | 2020 |
Molecular dynamics investigations for the prediction of molecular interaction of cauliflower mosaic virus transmission helper component protein complex with Myzus persicae … DJS Sharmila, JJ Blessy, VS Rapheal, KS Subramanian VirusDisease 30, 413-425, 2019 | 2 | 2019 |
Multivalent Interactions of Nano-spaced Dimers of N-acetylneuraminic Acid Analogues Complex with H5N1 Influenza Viral Neuraminidase and Haemagglutinin - A Molecular Dynamics … JJB D Jeya Sundara Sharmila, D Jawahar International Journal of Current Microbiology and Applied Sciences 8 (01 …, 2019 | 2 | 2019 |
MOLECULAR DOCKING AND DYNAMICS STUDIES ON THE PROTEIN-PROTEIN INTERACTIONS OF ELECTRICALLY ACTIVE PILIN NANOWIRES OF GEOBACTER SULFURREDUCENS. DJS Sharmila, JJ Blessy, KS Subramanian, K Gunasekaran, S Uthandi Journal of Proteins & Proteomics 8 (2), 2017 | 1 | 2017 |
Sialic acid analog as inhibitor for human coronavirus OC43-a study by molecular dynamics simulations JJ Blessy, NRS Shanmugam, K Veluraja, MM Gromiha Journal of Carbohydrate Chemistry 42 (4-6), 197-215, 2023 | | 2023 |
Investigations on the binding specificity of β-galactoside analogues with human galectin-1 using molecular dynamics simulations J Jino Blessy, NR Siva Shanmugam, K Veluraja, M Michael Gromiha Journal of Biomolecular Structure and Dynamics 40 (20), 10094-10105, 2022 | | 2022 |
Molecular Modeling and Docking Studies of Neu5Ac2en analogues against Cholera toxin JB John, JS Sharmila Research Journal of Recent Sciences …, 0 | | |