| Molecular dynamics simulation and binding studies of β-sitosterol with human serum albumin and its biological relevance B Sudhamalla, M Gokara, N Ahalawat, DG Amooru, R Subramanyam The Journal of Physical Chemistry B 114 (27), 9054-9062, 2010 | 176 | 2010 |
| An ebselen like catalyst with enhanced GPx activity via a selenol intermediate SJ Balkrishna, S Kumar, GK Azad, BS Bhakuni, P Panini, N Ahalawat, ... Organic & biomolecular chemistry 12 (8), 1215-1219, 2014 | 77 | 2014 |
| Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme J Mondal, N Ahalawat, S Pandit, LE Kay, P Vallurupalli PLoS computational biology 14 (5), e1006180, 2018 | 67 | 2018 |
| Molecular dynamics simulation studies of betulinic acid with human serum albumin C Malleda, N Ahalawat, M Gokara, R Subramanyam Journal of molecular modeling 18, 2589-2597, 2012 | 54 | 2012 |
| Mapping the substrate recognition pathway in cytochrome P450 N Ahalawat, J Mondal Journal of the American Chemical Society 140 (50), 17743-17752, 2018 | 46 | 2018 |
| Assessment and optimization of collective variables for protein conformational landscape: GB1 β-hairpin as a case study N Ahalawat, J Mondal The Journal of Chemical Physics 149 (9), 094101, 2018 | 27 | 2018 |
| Activation of corticotropin-releasing factor 1 receptor: insights from molecular dynamics simulations R Singh, N Ahalawat, RK Murarka The Journal of Physical Chemistry B 119 (7), 2806-2817, 2015 | 25 | 2015 |
| Atomistic Insights into Structural Differences between E3 and E4 Isoforms of Apolipoprotein E A Ray, N Ahalawat, J Mondal Biophysical Journal 113 (12), 2682–2694, 2017 | 17 | 2017 |
| An appraisal of computer simulation approaches in elucidating biomolecular recognition pathways N Ahalawat, J Mondal The Journal of Physical Chemistry Letters 12 (1), 633-641, 2020 | 16 | 2020 |
| Conformational changes and allosteric communications in human serum albumin due to ligand binding N Ahalawat, RK Murarka Journal of Biomolecular Structure and Dynamics 33 (10), 2192-2204, 2015 | 16 | 2015 |
| Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation N Sharma, N Ahalawat, P Sandhu, E Strauss, J Mondal, R Anand Science Advances 6 (14), eaay7919, 2020 | 12 | 2020 |
| On identifying collective displacements in apo-proteins that reveal eventual binding pathways D Dube, N Ahalawat, H Khandelia, J Mondal, S Sengupta PLoS computational biology 15 (1), e1006665, 2019 | 12 | 2019 |
| On the role of solvent in hydrophobic cavity–ligand recognition kinetics N Ahalawat, S Bandyopadhyay, J Mondal The Journal of Chemical Physics 152 (7), 2020 | 8 | 2020 |
| Structural Ensemble of CD4 Cytoplasmic Tail (402-419) Reveals a Nearly Flat Free Energy Landscape with Local α-Helical Order in Aqueous Solution N Ahalawat, S Arora, RK Murarka The Journal of Physical Chemistry B 119 (34), 11229–11242, 2015 | 8 | 2015 |
| Reconciling conformational heterogeneity and substrate recognition in cytochrome P450 BR Dandekar, N Ahalawat, J Mondal Biophysical Journal 120 (9), 1732-1745, 2021 | 7 | 2021 |
| Nonaffine displacements encode collective conformational fluctuations in proteins DD Prakashchand, N Ahalawat, S Bandyopadhyay, S Sengupta, ... Journal of Chemical Theory and Computation 16 (4), 2508-2516, 2020 | 7 | 2020 |
| First Report of Klebsiella Leaf Streak on Sorghum Caused by Klebsiella variicola in Haryana, India VK Malik, M Singh, P Sangwan, P Kumari, BL Sharma, P Kumari, P Verma, ... Plant Disease 107 (7), 2215, 2023 | 6 | 2023 |
| Markov State Models Reconcile Conformational Plasticity of GTPase with Its Substrate Binding Event BR Dandekar, N Ahalawat, S Sinha, J Mondal JACS Au 3 (6), 1728-1741, 2023 | 5 | 2023 |
| Molecular Mechanism of Nucleotide-Dependent Allosteric Regulation in AMP-Activated Protein Kinase N Ahalawat, RK Murarka The Journal of Physical Chemistry B 121 (14), 2919-2930, 2017 | 4 | 2017 |
| Stem Rot of Pearl Millet Prevalence, Symptomatology, Disease Cycle, Disease Rating Scale and Pathogen Characterization in Pearl Millet-Klebsiella Pathosystem VK Malik, P Sangwan, M Singh, P Kumari, N Shoeran, N Ahalawat, ... The Plant Pathology Journal 40 (1), 48, 2024 | 3 | 2024 |
Jagannath MondalAssociate Professor, Tata Institute of Fundamental Research, Hyderabad, India在 tifrh.res.in 的电子邮件经过验证
