U. Deva Priyakumar

Impact of 2′‐hydroxyl sampling on the conformational properties of RNA: Update of the CHARMM all‐atom additive force field for RNA

Elizabeth J. Denning, U. Deva Priyakumar, Lennart Nilsson et al. · Journal of Computational Chemistry · 2011 · 420 citations

Conformational Heterogeneity, Engineering, Rna Structure Prediction +12

Machine Learning Based Clinical Decision Support System for Early COVID-19 Mortality Prediction

A. Karthikeyan, Akshit Garg, P. K. Vinod et al. · Frontiers in Public Health · 2021 · 108 citations · Full text

World Health Organization, Machine Learning, Prognosis +19

A computational study of cation–π interactions in polycyclic systems: exploring the dependence on the curvature and electronic factors

U. Deva Priyakumar, M. Punnagai, Gunjan Mohan et al. · Tetrahedron · 2004 · 92 citations

Computational Study, Chemical Thermodynamics, Engineering +9

Exploration of C₆H₆ Potential Energy Surface:  A Computational Effort to Unravel the Relative Stabilities and Synthetic Feasibility of New Benzene Isomers

T. C. Dinadayalane, U. Deva Priyakumar, G. Narahari Sastry · The Journal of Physical Chemistry A · 2004 · 92 citations

Chemical Engineering, Relative Stabilities, Engineering +15

First ab Initio and Density Functional Study on the Structure, Bowl-to-Bowl Inversion Barrier, and Vibrational Spectra of the Elusive <i>C</i>₃<i>_v</i>-Symmetric Buckybowl:  Sumanene, C₂₁H₁₂

U. Deva Priyakumar, G. Narahari Sastry · The Journal of Physical Chemistry A · 2001 · 89 citations

Engineering, Computational Chemistry, Chemistry +16