| Year |
Citation |
Score |
| 2023 |
Dandekar BR, Ahalawat N, Sinha S, Mondal J. Markov State Models Reconcile Conformational Plasticity of GTPase with Its Substrate Binding Event. Jacs Au. 3: 1728-1741. PMID 37388689 DOI: 10.1021/jacsau.3c00151 |
0.364 |
|
| 2023 |
Ahalawat N, Sahil M, Mondal J. Resolving Protein Conformational Plasticity and Substrate Binding via Machine Learning. Journal of Chemical Theory and Computation. PMID 37068044 DOI: 10.1021/acs.jctc.2c00932 |
0.372 |
|
| 2021 |
Dandekar BR, Ahalawat N, Mondal J. Reconciling Conformational Heterogeneity and Substrate Recognition in Cytochrome P450. Biophysical Journal. PMID 33675756 DOI: 10.1016/j.bpj.2021.02.040 |
0.369 |
|
| 2020 |
Sharma N, Ahalawat N, Sandhu P, Strauss E, Mondal J, Anand R. Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation. Science Advances. 6: eaay7919. PMID 32284973 DOI: 10.1126/Sciadv.Aay7919 |
0.467 |
|
| 2020 |
Prakashchand DD, Ahalawat N, Bandyopadhyay S, Sengupta S, Mondal J. Non-affine displacements encode collective conformational fluctuations in proteins. Journal of Chemical Theory and Computation. PMID 32207977 DOI: 10.1021/Acs.Jctc.9B01100 |
0.36 |
|
| 2019 |
Dube D, Ahalawat N, Khandelia H, Mondal J, Sengupta S. On identifying collective displacements in apo-proteins that reveal eventual binding pathways. Plos Computational Biology. 15: e1006665. PMID 30645590 DOI: 10.1371/Journal.Pcbi.1006665 |
0.425 |
|
| 2018 |
Ahalawat N, Mondal J. Mapping the Substrate Recognition Pathway in Cytochrome P450. Journal of the American Chemical Society. PMID 30479124 DOI: 10.1021/Jacs.8B10840 |
0.402 |
|
| 2018 |
Ahalawat N, Mondal J. Assessment and optimization of collective variables for protein conformational landscape: GB1 -hairpin as a case study. The Journal of Chemical Physics. 149: 094101. PMID 30195312 DOI: 10.1063/1.5041073 |
0.398 |
|
| 2018 |
Mondal J, Ahalawat N, Pandit S, Kay LE, Vallurupalli P. Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme. Plos Computational Biology. 14: e1006180. PMID 29775455 DOI: 10.1371/Journal.Pcbi.1006180 |
0.469 |
|
| 2017 |
Ray A, Ahalawat N, Mondal J. Atomistic Insights into Structural Differences between E3 and E4 Isoforms of Apolipoprotein E. Biophysical Journal. 113: 2682-2694. PMID 29262361 DOI: 10.1016/J.Bpj.2017.10.006 |
0.33 |
|
| 2017 |
Ahalawat N, Murarka RK. Molecular Mechanism of Nucleotide-Dependent Allosteric Regulation in AMP-Activated Protein Kinase. The Journal of Physical Chemistry. B. 121: 2919-2930. PMID 28345916 DOI: 10.1021/Acs.Jpcb.6B11223 |
0.629 |
|
| 2015 |
Ahalawat N, Arora S, Murarka RK. Structural Ensemble of CD4 Cytoplasmic Tail (402-419) Reveals a Nearly Flat Free-Energy Landscape with Local α-Helical Order in Aqueous Solution. The Journal of Physical Chemistry. B. 119: 11229-42. PMID 26132982 DOI: 10.1021/Acs.Jpcb.5B03092 |
0.618 |
|
| 2015 |
Singh R, Ahalawat N, Murarka RK. Activation of corticotropin-releasing factor 1 receptor: insights from molecular dynamics simulations. The Journal of Physical Chemistry. B. 119: 2806-17. PMID 25607803 DOI: 10.1021/Jp509814N |
0.633 |
|
| 2015 |
Ahalawat N, Murarka RK. Conformational changes and allosteric communications in human serum albumin due to ligand binding. Journal of Biomolecular Structure & Dynamics. 33: 2192-204. PMID 25495718 DOI: 10.1080/07391102.2014.996609 |
0.623 |
|
| 2012 |
Malleda C, Ahalawat N, Gokara M, Subramanyam R. Molecular dynamics simulation studies of betulinic acid with human serum albumin. Journal of Molecular Modeling. 18: 2589-97. PMID 22076062 DOI: 10.1007/S00894-011-1287-X |
0.403 |
|
| 2010 |
Sudhamalla B, Gokara M, Ahalawat N, Amooru DG, Subramanyam R. Molecular dynamics simulation and binding studies of beta-sitosterol with human serum albumin and its biological relevance. The Journal of Physical Chemistry. B. 114: 9054-62. PMID 20565066 DOI: 10.1021/Jp102730P |
0.361 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2020 |
Ahalawat N, Mondal J. An Appraisal of Computer Simulation Approaches in Elucidating Biomolecular Recognition Pathways. The Journal of Physical Chemistry Letters. 633-641. PMID 33382941 DOI: 10.1021/acs.jpclett.0c02785 |
0.292 |
|
| 2023 |
Rani N, Boora N, Rani R, Kumar V, Ahalawat N. Molecular dynamics simulation of RAC1 protein and its de novo variants related to developmental disorders. Journal of Biomolecular Structure & Dynamics. 1-10. PMID 37897175 DOI: 10.1080/07391102.2023.2275188 |
0.272 |
|
| 2020 |
Ahalawat N, Bandyopadhyay S, Mondal J. On the role of solvent in hydrophobic cavity-ligand recognition kinetics. The Journal of Chemical Physics. 152: 074104. PMID 32087659 DOI: 10.1063/1.5139584 |
0.271 |
|
| 2014 |
Balkrishna SJ, Kumar S, Azad GK, Bhakuni BS, Panini P, Ahalawat N, Tomar RS, Detty MR, Kumar S. An ebselen like catalyst with enhanced GPx activity via a selenol intermediate. Organic & Biomolecular Chemistry. 12: 1215-9. PMID 24448734 DOI: 10.1039/C4Ob00027G |
0.243 |
|
| 2022 |
Mehla S, Kumar U, Kapoor P, Singh Y, Sihag P, Sagwal V, Balyan P, Kumar A, Ahalawat N, Lakra N, Singh KP, Pesic V, Djalovic I, Mir RR, Dhankher OP. Structural and functional insights into the candidate genes associated with different developmental stages of flag leaf in bread wheat ( L.). Frontiers in Genetics. 13: 933560. PMID 36092892 DOI: 10.3389/fgene.2022.933560 |
0.133 |
|
| 2024 |
Malik VK, Sangwan P, Singh M, Kumari P, Shoeran N, Ahalawat N, Kumar M, Deep H, Malik K, Verma P, Yadav P, Kumari S, Dhal S. Stem Rot of Pearl Millet Prevalence, Symptomatology, Disease Cycle, Disease Rating Scale and Pathogen Characterization in Pearl Millet-Klebsiella Pathosystem. The Plant Pathology Journal. 40: 48-58. PMID 38326958 DOI: 10.5423/PPJ.OA.09.2023.0126 |
0.094 |
|
| 2023 |
Malik VK, Singh M, Sangwan P, Kumari P, Sharma BL, Kumari P, Verma P, Yadav P, Sheoran N, Singh A, Singh DP, Arya SK, Ahalawat N, Malik J. First report of Klebsiella Leaf Streak on Sorghum Caused by Klebsiella variicola in Haryana, India. Plant Disease. PMID 36593667 DOI: 10.1094/PDIS-09-22-2200-PDN |
0.077 |
|
| Hide low-probability matches. |