| 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 |
|
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