Molecular Dynamics Simulations of a Catalytic Multivalent Peptide–Nanoparticle Complex S Dutta, S Corni, G Brancolini Int. J. Mol. Sci. 22 (7), 3624, 2021 | 23 | 2021 |
A computational view on nanomaterial intrinsic and extrinsic features for nanosafety and sustainability G Mancardi, A Mikolajczyk, VK Annapoorani, A Bahl, K Blekos, J Burk, ... Materials Today 67, 344-370, 2023 | 13 | 2023 |
Atomistic simulations of functionalized nano-materials for biosensors applications S Dutta, S Corni, G Brancolini International Journal of Molecular Sciences 23 (3), 1484, 2022 | 11 | 2022 |
Atomistic simulations of gold surface functionalization for nanoscale biosensors applications S Dutta, L Bellucci, M Agostini, M Gagliardi, S Corni, M Cecchini, ... Nanotechnology 32 (9), 095702, 2020 | 11 | 2020 |
Spatio-temporal coordination among functional residues in protein S Dutta, M Ghosh, J Chakrabarti Scientific Reports 7 (1), 40439, 2017 | 9 | 2017 |
Allostery in Orai1 binding to calmodulin revealed from conformational thermodynamics L Maganti, S Dutta, M Ghosh, J Chakrabarti Journal of Biomolecular Structure and Dynamics 37 (2), 493-502, 2019 | 8 | 2019 |
In-silico studies on conformational stability of flagellin–receptor complexes S Dutta, M Ghosh, J Chakrabarti Journal of Biomolecular Structure and Dynamics, 2020 | 4 | 2020 |
Tuning Gold-Based Surface Functionalization for Streptavidin Detection: a Combined Simulative and Experimental Study S Dutta, M Gagliardi, L Bellucci, M Agostini, S Corni, M Cecchini, ... Frontiers in Molecular Biosciences, 1290, 2022 | 1 | 2022 |
Self‐assembly in amphiphilic macromolecules with solvent exposed hydrophobic moieties S Dutta, P Patra, J Chakrabarti Biopolymers 110 (12), e23330, 2019 | 1 | 2019 |
Multiscale Physics-based in silico Modelling of Nanocarrier-assisted Intravascular Drug Delivery NV Buchete, I Cicha, S Dutta, P Neofytou Frontiers in Drug Delivery 4, 1362660, 2024 | | 2024 |
Dynamic signature of ligand binding over a protein surface S Dutta, M Ghosh, R Karmakar, J Chakrabarti Physical Review E 100 (6), 062411, 2019 | | 2019 |