Navjeet Ahalawat
Affiliations: | IISER Bhopal |
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| Dandekar BR, Ahalawat N, Sinha S, et al. (2023) Markov State Models Reconcile Conformational Plasticity of GTPase with Its Substrate Binding Event. Jacs Au. 3: 1728-1741 |
| Ahalawat N, Sahil M, Mondal J. (2023) Resolving Protein Conformational Plasticity and Substrate Binding via Machine Learning. Journal of Chemical Theory and Computation |
| Dandekar BR, Ahalawat N, Mondal J. (2021) Reconciling Conformational Heterogeneity and Substrate Recognition in Cytochrome P450. Biophysical Journal |
| Sharma N, Ahalawat N, Sandhu P, et al. (2020) Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation. Science Advances. 6: eaay7919 |
| Prakashchand DD, Ahalawat N, Bandyopadhyay S, et al. (2020) Non-affine displacements encode collective conformational fluctuations in proteins. Journal of Chemical Theory and Computation |
| Dube D, Ahalawat N, Khandelia H, et al. (2019) On identifying collective displacements in apo-proteins that reveal eventual binding pathways. Plos Computational Biology. 15: e1006665 |
| Ahalawat N, Mondal J. (2018) Mapping the Substrate Recognition Pathway in Cytochrome P450. Journal of the American Chemical Society |
| Ahalawat N, Mondal J. (2018) Assessment and optimization of collective variables for protein conformational landscape: GB1 -hairpin as a case study. The Journal of Chemical Physics. 149: 094101 |
| Mondal J, Ahalawat N, Pandit S, et al. (2018) Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme. Plos Computational Biology. 14: e1006180 |
| Ray A, Ahalawat N, Mondal J. (2017) Atomistic Insights into Structural Differences between E3 and E4 Isoforms of Apolipoprotein E. Biophysical Journal. 113: 2682-2694 |