| Facilitating minima search for large water clusters at the mp2 level via molecular tailoring JP Furtado, AP Rahalkar, S Shanker, P Bandyopadhyay, SR Gadre The journal of physical chemistry letters 3 (16), 2253-2258, 2012 | 79 | 2012 |
| Monte Carlo temperature basin paving with effective fragment potential: An efficient and fast method for finding low-energy structures of water clusters (H2O) 20 and (H2O) 25 S Shanker, P Bandyopadhyay The Journal of Physical Chemistry A 115 (42), 11866-11875, 2011 | 48 | 2011 |
| Predicting Protein–Peptide Interactions: Benchmarking Deep Learning Techniques and a Comparison with Focused Docking S Shanker, MF Sanner Journal of Chemical Information and Modeling, 2023 | 24 | 2023 |
| Structure-based neural network protein–carbohydrate interaction predictions at the residue level SW Canner, S Shanker, JJ Gray Frontiers in Bioinformatics 3, 1186531, 2023 | 18 | 2023 |
| Shotgun scanning glycomutagenesis: a simple and efficient strategy for constructing and characterizing neoglycoproteins M Li, X Zheng, S Shanker, T Jaroentomeechai, TD Moeller, SW Hulbert, ... Proceedings of the National Academy of Sciences 118 (39), 2021 | 16 | 2021 |
| How Mg2+ ion and water network affect the stability and structure of non-Watson–Crick base pairs in E. coli loop E of 5S rRNA: a molecular dynamics and … S Shanker, P Bandyopadhyay Journal of Biomolecular Structure and Dynamics 35 (10), 2103-2122, 2017 | 10 | 2017 |
| Hidden markov model for the prediction of transmembrane proteins using MATLAB N Chaturvedi, S Shanker, VK Singh, D Sinha, PN Pandey Bioinformation 7 (8), 418, 2011 | 8 | 2011 |
| Self-Assembly of Nanocubic Molecular Capsules via Solvent-Guided Formation of Rectangular Blocks T Yamamoto, H Arefi, S Shanker, H Sato, S Hiraoka The journal of physical chemistry letters 9 (20), 6082-6088, 2018 | 7 | 2018 |
| Determination of low-energy structures of a small RNA hairpin using Monte Carlo–based techniques S Shanker, P Bandyopadhyay Journal of biosciences 37, 533-538, 2012 | 2 | 2012 |
| A combination of Monte Carlo Temperature Basin Paving and Graph theory: Water cluster low energy structures and completeness of search R SHRIVASTAVA, A RAKSHIT, S SHANKER, L VIG, ... Journal of Chemical Sciences, 1-10, 2016 | 1 | 2016 |
| Geometric and energy calculations to predict protein stability and activity changes due to site-specific glycosylation S Shanker, M Liang, X Zheng, JW Labonte, MP DeLisa, JJ Gray1 Glycobiology, cwaa094, 88, 2020 | | 2020 |
| Fine-mapping the consequences of site-specific glycan installation by shotgun scanning glycomutagenesis M Li, X Zheng, S Shanker, T Jaroentomeechai, I Kocer, J Byrne, EC Cox, ... bioRxiv, 2020 | | 2020 |
| 88 Interplay of water molecules and Mg2+ ions in stability of RNA containing non-Watson–Crick base pairs S Shanker, P Bandyopadhyay Journal of Biomolecular Structure and Dynamics 33 (sup1), 57-58, 2015 | | 2015 |
