| Computational and NMR studies of RNA duplexes with an internal pseudouridine-adenosine base pair I Deb, Ł Popenda, J Sarzyńska, M Małgowska, A Lahiri, Z Gdaniec, ... Scientific Reports 9 (1), 16278, 2019 | 34 | 2019 |
| Accelerating rare dissociative processes in biomolecules using selectively scaled MD simulations I Deb, AT Frank Journal of chemical theory and computation 15 (11), 5817-5828, 2019 | 31 | 2019 |
| Conformational preferences of modified uridines: comparison of AMBER derived force fields I Deb, J Sarzynska, L Nilsson, A Lahiri Journal of chemical information and modeling 54 (4), 1129-1142, 2014 | 22 | 2014 |
| Inosine and its methyl derivatives: Occurrence, biogenesis, and function in RNA N Dutta, I Deb, J Sarzynska, A Lahiri Progress in Biophysics and Molecular Biology 169, 21-52, 2022 | 14 | 2022 |
| Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand A Chauvier, JC Porta, I Deb, E Ellinger, K Meze, AT Frank, MD Ohi, ... Nature Structural & Molecular Biology 30 (7), 902-913, 2023 | 13 | 2023 |
| Reparameterizations of the χ Torsion and Lennard-Jones σ Parameters Improve the Conformational Characteristics of Modified Uridines I Deb, R Pal, J Sarzynska, A Lahiri Journal of Computational Chemistry, 2016 | 13 | 2016 |
| LNA-induced dynamic stability in a therapeutic aptamer: Insights from molecular dynamics simulations R Pal, I Deb, J Sarzynska, A Lahiri Journal of Biomolecular Structure and Dynamics 41 (6), 2221-2230, 2023 | 8 | 2023 |
| Bell-Evans model and steered molecular dynamics in uncovering the dissociation kinetics of ligands targeting G-protein-coupled receptors MJ Akhunzada, HJ Yoon, I Deb, A Braka, S Wu Scientific Reports 12 (1), 15972, 2022 | 6 | 2022 |
| Data-informed reparameterization of modified RNA and the effect of explicit water models: application to pseudouridine and derivatives N Dutta, I Deb, J Sarzynska, A Lahiri Journal of computer-aided molecular design 36 (3), 205-224, 2022 | 5 | 2022 |
| Quantum mechanics helps uncover atypical recognition features in the flavin mononucleotide riboswitch I Deb, H Wong, C Tacubao, AT Frank The Journal of Physical Chemistry B 125 (30), 8342-8350, 2021 | 5 | 2021 |
| Rapid communication capturing the destabilizing effect of dihydrouridine through molecular simulations I Deb, J Sarzynska, L Nilsson, A Lahiri Biopolymers 101 (10), 985-991, 2014 | 5 | 2014 |
| Structural and thermodynamic consequences of base pairs containing pseudouridine and N1-methylpseudouridine in RNA duplexes N Dutta, I Deb, J Sarzynska, A Lahiri bioRxiv, 2023.03. 19.533340, 2023 | 4 | 2023 |
| N1-Methylpseudouridine and pseudouridine modifications modulate mRNA decoding during translation JG Monroe, L Mitchell, I Deb, B Roy, AT Frank, K Koutmou bioRxiv, 2022.06. 13.495988, 2022 | 3 | 2022 |
| Experiences with managing data parallel computational workflows for High-throughput Fragment Molecular Orbital (FMO) Calculations D Wannipurage, I Deb, E Abeysinghe, S Pamidighantam, S Marru, ... arXiv preprint arXiv:2201.12237, 2022 | 3 | 2022 |
| Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand N Walter, A Chauvier, J Porta, I Deb, E Ellinger, A Frank, M Ohi | 1 | 2021 |
| Structural Stability of the Anticodon Stem Loop Domains of the Unmodified Yeast and Escherichia coli tRNAPhe: Differing Views from Different Force Fields I Deb, J Sarzynska, L Nilsson, A Lahiri ACS Omega 4 (2), 3029-3044, 2019 | 1 | 2019 |
| Using Dynamic Interaction Fingerprints to Derive Baseline Machine Learning Model for the Prediction of Protein-Ligand Dissociation Rate Constant MJ Akhunzada, HJ Yoon, A Braka, I Deb, S Wu | | 2024 |
| Quantum chemical and molecular modeling studies of twenty therapeutic nucleosides and nucleoside analogues N Dutta, I Deb, J Sarzynska, A Lahiri | | 2024 |
| Predicting nearest neighbor free energies of modified RNA with LIE: results for pseudouridine and N 1-methylpseudouridine within RNA duplexes N Dutta, J Sarzynska, I Deb, A Lahiri Physical Chemistry Chemical Physics 26 (2), 992-999, 2024 | | 2024 |
| How robust is the ligand binding transition state? S Bose, SD Lotz, I Deb, M Shuck, KSS Lee, A Dickson Journal of the American Chemical Society 145 (46), 25318-25331, 2023 | | 2023 |
Ansuman LahiriDepartment of Biophysics, Molecular Biology & Bioinformatics, University of CalcuttaVerified email at caluniv.ac.in
