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Dr Shalini Awasthi
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Year
Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics
S Awasthi, V Kapil, NN Nair
Journal of Computational Chemistry 37 (16), 1413-1424, 2016
532016
Exploring high dimensional free energy landscapes: Temperature accelerated sliced sampling
S Awasthi, NN Nair
The Journal of Chemical Physics 146 (9), 2017
522017
Exploring high‐dimensional free energy landscapes of chemical reactions
S Awasthi, NN Nair
Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (3), e1398, 2019
242019
Transimination reaction at the active site of aspartate aminotransferase: a proton hopping mechanism through pyridoxal 5′-phosphate
K Soniya, S Awasthi, NN Nair, A Chandra
ACS Catalysis 9 (7), 6276-6283, 2019
232019
Prevalence and genotypes of HPV in female renal transplant recipients in North India
R Aggarwal, V Suri, S Awasthi, J Naru, R Nijhawan, M Minz, V Jha
International Journal of Gynecological Pathology 33 (5), 537-542, 2014
232014
Mechanism and kinetics of aztreonam hydrolysis catalyzed by class-C β-lactamase: A temperature-accelerated sliced sampling study
S Awasthi, S Gupta, R Tripathi, NN Nair
The Journal of Physical Chemistry B 122 (15), 4299-4308, 2018
222018
Mechanism of Mg2+-Accompanied Product Release in Sugar Nucleotidyltransferases
N Vithani, PK Ankush Jagtap, SK Verma, R Tripathi, S Awasthi, NN Nair, ...
Structure 26 (3), 459-466.e3, 2018
122018
Wiley Interdiscip
S Awasthi, NN Nair
Rev.: Comput. Mol. Sci 9 (3), e1398, 2019
82019
Anaphylaxis following injection atracurium besylate: An uncommon but life threatening complication
S Awasthi, RK Tripathi
Indian J Fundam Appl Life Sci 3, 211-3, 2013
22013
Fundamental Chemistry behind Rechargeable Lithium Ion Batteries: An Ab Inito Study
S Awasthi, WD Widanage
Electrochemical Society Meeting Abstracts ecee2019, 22-22, 2019
2019
Pyrophosphate release pathway in a sugar nucleotidyltransferase-GlmU.
N Vithani, PKA Jagtap, SK Verma, R Tripathi, S Awasthi, NN Nair, ...
2018
Efficient Exploration of High Dimensional Free Energy Landscapes: Novel Methods and Applications
S Awasthi
Indian Institute of Technology Kanpur, India, 2017
2017
Engineering Applications of Composites Machining with Al203-SiC Whisker Cutting Tools 543 ER Billman, PK Mehrotra, AF Shuster, and CW Beeghly Carbon/Carbon Composite Materials …
S Awasthi, JL Wood, FP Fiber, MMCC Rods, F Folgar, SK Verma, ...
12th Annual Conference on Composites and Advanced Ceramic Materials, Part 1 …, 2009
2009
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Articles 1–13