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Journal 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 MacKerellThe Journal of Physical Chemistry. B|January 17, 2008
Atomic detail investigation of the structure and dynamics of DNA.RNA hybrids: a molecular dynamics studyU Deva Priyakumar, Alexander D MackerellPhysical Chemistry Chemical Physics : PCCP|June 19, 2026
Theoretical investigation of catalytic oxidation of benzyl alcohol by Au, Cu and Au-Cu nanoclustersPradeep Kumar Pal, U Deva PriyakumarThe Journal of Organic Chemistry|January 5, 2002
A theoretical study of the structures, energetics, stabilities, reactivities, and out-of-plane distortive tendencies of skeletally substituted benzenes (CH)(5)XH and (CH)(4)(XH)(2) (X = B(-), N(+), Al(-), Si, P(+), Ga(-), Ge, and As(+))U Deva Priyakumar, G Narahari SastryJournal of Chemical Information and Modeling|April 13, 2022
BiRDS - Binding Residue Detection from Protein Sequences Using Deep ResNetsVineeth R Chelur, U Deva PriyakumarJournal of Molecular Biology|December 23, 2009
Role of the adenine ligand on the stabilization of the secondary and tertiary interactions in the adenine riboswitchU Deva Priyakumar, Alexander D MacKerellChemistry, an Asian Journal|June 16, 2025
Theoretical Investigation of the Stabilities and Reactivities of Au m Cu n ${\rm Au}_m{\rm Cu}_n$ Metallic Clusters (m+n = 13)Pradeep Kumar Pal, U Deva PriyakumarJournal of Computational Chemistry|December 6, 2021
Benchmark study on deep neural network potentials for small organic moleculesRohit Modee, Siddhartha Laghuvarapu, U Deva PriyakumarFrontiers in Medicine|October 10, 2022
MO-MEMES: A method for accelerating virtual screening using multi-objective Bayesian optimizationSarvesh Mehta, Manan Goel, U Deva PriyakumarPageof 11