Number of items: 5.
2019
Awasthi, Shalini and Nair, Nisanth N.
(2019)
Exploring high-dimensional free energy landscapes of chemical reactions.
Wiley Interdisciplinary Reviews : Computational Molecular Science, 9
(3).
e1398.
doi:10.1002/wcms.1398
2018
Awasthi, Shalini, Gupta, Shalini, Tripathi, Ravi and Nair, Nisanth N.
(2018)
Mechanism and kinetics of Aztreonam hydrolysis catalyzed by class-C β-lactamase : a temperature-accelerated sliced sampling study.
The Journal of Physical Chemistry B, 122
(15).
pp. 4299-4308.
doi:10.1021/acs.jpcb.8b01287
Vithani, Neha, Jagtap, Pravin Kumar Ankush, Verma, Sunil Kumar, Tripathi, Ravi, Awasthi, Shalini, Nair, Nisanth N. and Prakash, Balaji
(2018)
Mechanism of Mg 2+ -accompanied product release in sugar nucleotidyltransferases.
Structure, 26
(3).
pp. 459-466.
doi:10.1016/j.str.2018.02.002
2017
Awasthi, Shalini and Nair, Nisanth N.
(2017)
Exploring high dimensional free energy landscapes : temperature accelerated sliced sampling.
The Journal of Chemical Physics, 146
(9).
094108.
doi:10.1063/1.4977704
2016
Awasthi, Shalini, Kapil, Venkat and Nair, Nisanth N.
(2016)
Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.
Journal of Computational Chemistry, 37
(16).
pp. 1413-1424.
doi:10.1002/jcc.24349
This list was generated on Sat Nov 26 18:42:53 2022 GMT.
