| Effect of graphene oxide on the conformational transitions of amyloid beta peptide: A molecular dynamics simulation study L Baweja, K Balamurugan, V Subramanian, A Dhawan Journal of Molecular Graphics and Modelling 61, 175-185, 2015 | 81 | 2015 |
| Hydration patterns of graphene-based nanomaterials (GBNMs) play a major role in the stability of a helical protein: a molecular dynamics simulation study L Baweja, K Balamurugan, V Subramanian, A Dhawan Langmuir 29 (46), 14230-14238, 2013 | 59 | 2013 |
| Effects of surface curvature and surface characteristics of carbon-based nanomaterials on the adsorption and activity of acetylcholinesterase T Mesarič, L Baweja, B Drašler, D Drobne, D Makovec, P Dušak, ... Carbon 62, 222-232, 2013 | 58 | 2013 |
| C60-fullerene binds with the ATP binding domain of human DNA topoiosmerase II alpha L Baweja, D Gurbani, R Shanker, AK Pandey, V Subramanian, A Dhawan Journal of biomedical nanotechnology 7 (1), 177-178, 2011 | 39 | 2011 |
| Carbamylation promotes amyloidogenesis and induces structural changes in Tau-core hexapeptide fibrils VG KrishnaKumar, L Baweja, K Ralhan, S Gupta Biochimica et Biophysica Acta (BBA)-General Subjects 1862 (12), 2590-2604, 2018 | 32 | 2018 |
| Nucleosome composition regulates the histone H3 tail conformational ensemble and accessibility EA Morrison, L Baweja, MG Poirier, J Wereszczynski, CA Musselman Nucleic acids research 49 (8), 4750-4767, 2021 | 30 | 2021 |
| Interaction of C60 fullerene with the proteins involved in DNA mismatch repair pathway SK Gupta, L Baweja, D Gurbani, AK Pandey, A Dhawan Journal of biomedical nanotechnology 7 (1), 179-180, 2011 | 30 | 2011 |
| Pushing the limits of structure-based models: prediction of nonglobular protein folding and fibrils formation with go-model simulations L Baweja, J Roche The Journal of Physical Chemistry B 122 (9), 2525-2535, 2018 | 7 | 2018 |
| Computational Approaches for Predicting Nanotoxicity at the Molecular Level L Baweja, A Dhawan | 6 | 2017 |
| Impact of graphene-based nanomaterials (GBNMs) on the structural and functional conformations of hepcidin peptide KP Singh, L Baweja, O Wolkenhauer, Q Rahman, SK Gupta Journal of Computer-Aided Molecular Design 32, 487-496, 2018 | 5 | 2018 |
| Preferential binding of fullerene and fullerenol with the N-terminal and middle regions of amyloid beta peptide: an in silico investigation V Pandya, L Baweja, A Dhawan International Journal of Nanomedicine 13 (sup1), 71-73, 2018 | 4 | 2018 |
| Computer simulations for understanding nanoparticle-biomolecule corona formation L Baweja | 3 | 2019 |
| Peptide Dynamics and Metadynamics: Leveraging Enhanced Sampling Molecular Dynamics to Robustly Model Long-Timescale Transitions J Clayton, L Baweja, J Wereszczynski Computational Peptide Science: Methods and Protocols, 151-167, 2022 | 2 | 2022 |
| Conformational and Thermodynamic Differences Underlying Wild-Type and Mutant Eleven-Nineteen-Leukemia YEATS Domain Specificity for Epigenetic Marks L Baweja, J Wereszczynski Journal of chemical information and modeling 63 (4), 1229-1238, 2023 | 1 | 2023 |
| Computational modeling uncovers the structural basis of ubiquitin-mediated modulation of nucleosome dynamics L Baweja, JM Wereszczynski Biophysical Journal 123 (3), 231a, 2024 | | 2024 |
| Unraveling the effects of ubiquitylation on nucleosome assembly and dynamics with coarse-grain simulations L Baweja, JM Wereszczynski Biophysical Journal 122 (3), 494a, 2023 | | 2023 |
| Conformational and Thermodynamic Differences Underlying Wild-type and Mutant YEATS Domain Specificity for Epigenetic Marks L Baweja, J Wereszczynski bioRxiv, 2022.07. 14.500085, 2022 | | 2022 |
| Conformational and Thermodynamic Differences Underlying Wild-type and Mutant ENL YEATS Domain Specificity for Epigenetic Marks L Baweja, J Wereszczynski | | 2022 |
| Nucleosome Assembly State Governs Histone H3 Tail Conformation and Dynamics EA Morrison, L Baweja, JM Wereszczynski, CA Musselman Biophysical Journal 118 (3), 377a-378a, 2020 | | 2020 |
| Histone Tails Dynamics in Canonical and Subnucleosomal Particles Investigated with Molecular Dynamics Simulations L Baweja, EA Morrison, CA Musselman, JM Wereszczynski Biophysical Journal 118 (3), 225a, 2020 | | 2020 |
