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
ISSN 1759-0876.
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
ISSN 1520-6106.
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
ISSN 0969-2126.
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
ISSN 0021-9606.
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
ISSN 0192-8651.
This list was generated on Tue May 30 08:07:37 2023 BST.
