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Vitamins 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 PriyakumarPhysical 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 PriyakumarChemistry, 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 Chemical Sciences (Bangalore, India)|March 29, 2020
Modeling the structure of SARS 3a transmembrane protein using a minimum unfavorable contact approachS Ramakrishna, Siladitya Padhi, U Deva PriyakumarJournal of Computational Chemistry|January 8, 2015
Prediction of the structures of helical membrane proteins based on a minimum unfavorable contacts approachSiladitya Padhi, Siddabattula Ramakrishna, 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 PriyakumarPageof 49