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 | 56 | 2016 |
Exploring high dimensional free energy landscapes: Temperature accelerated sliced sampling S Awasthi, NN Nair The Journal of Chemical Physics 146 (9), 2017 | 54 | 2017 |
Exploring high‐dimensional free energy landscapes of chemical reactions S Awasthi, NN Nair Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (3), e1398, 2019 | 25 | 2019 |
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 | 24 | 2019 |
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 | 23 | 2014 |
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 | 21 | 2018 |
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 | 13 | 2018 |
Wiley Interdiscip S Awasthi, NN Nair Rev.: Comput. Mol. Sci 9 (3), e1398, 2019 | 8 | 2019 |
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 | 2 | 2013 |
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 |