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The Journal of Physical Chemistry. B|April 26, 2016
Cooperation of Hydrophobic Gating, Knock-on Effect, and Ion Binding Determines Ion Selectivity in the p7 ChannelSiladitya Padhi, U Deva PriyakumarBiochimica Et Biophysica Acta. Biomembranes|October 31, 2016
Microsecond simulation of human aquaporin 2 reveals structural determinants of water permeability and selectivitySiladitya Padhi, U Deva PriyakumarJournal of Molecular Graphics & Modelling|August 10, 2015
Inclusion of methoxy groups inverts the thermodynamic stabilities of DNA-RNA hybrid duplexes: A molecular dynamics simulation studyGorle Suresh, U Deva PriyakumarJournal of Molecular Modeling|November 29, 2011
Computational investigation of the effect of thermal perturbation on the mechanical unfolding of titin I27Navneet Bung, U Deva PriyakumarThe Journal of Physical Chemistry. B|April 27, 2013
Structures, dynamics, and stabilities of fully modified locked nucleic acid (β-D-LNA and α-L-LNA) duplexes in comparison to pure DNA and RNA duplexesGorle Suresh, U Deva PriyakumarVitamins and Hormones|February 17, 2020
Selectivity and transport in aquaporins from molecular simulation studiesSiladitya Padhi, U Deva PriyakumarJournal of Chemical Theory and Computation|August 31, 2016
Urea-Aromatic Stacking and Concerted Urea Transport: Conserved Mechanisms in Urea Transporters Revealed by Molecular DynamicsSiladitya Padhi, U Deva PriyakumarJournal of Chemical Sciences (Bangalore, India)|December 27, 2021
Artificial intelligence: machine learning for chemical sciencesAkshaya Karthikeyan, U Deva PriyakumarJournal of the American Chemical Society|January 19, 2006
NMR imino proton exchange experiments on duplex DNA primarily monitor the opening of purine basesU Deva Priyakumar, Alexander D MackerellJournal of Chemical Theory and Computation|December 3, 2015
Base Flipping in a GCGC Containing DNA Dodecamer: A Comparative Study of the Performance of the Nucleic Acid Force Fields, CHARMM, AMBER, and BMSU Deva Priyakumar, Alexander D MacKerellPageof 27