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Navjeet Ahalawat
Navjeet Ahalawat
CCS Haryana Agricultural University, Hisar
Adresă de e-mail confirmată pe hau.ac.in
Titlu
Citat de
Citat de
Anul
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
1752010
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
772014
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
652018
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
532012
Mapping the substrate recognition pathway in cytochrome P450
N Ahalawat, J Mondal
Journal of the American Chemical Society 140 (50), 17743-17752, 2018
472018
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
262018
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
252015
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
172017
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
152020
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
152015
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
112020
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
112019
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
82015
Reconciling conformational heterogeneity and substrate recognition in cytochrome P450
BR Dandekar, N Ahalawat, J Mondal
Biophysical Journal 120 (9), 1732-1745, 2021
72021
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
72020
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
72020
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
42017
Structural and functional insights into the candidate genes associated with different developmental stages of flag leaf in bread wheat (Triticum aestivum L.)
S Mehla, U Kumar, P Kapoor, Y Singh, P Sihag, V Sagwal, P Balyan, ...
Frontiers in Genetics 13, 933560, 2022
22022
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
12023
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
12023
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