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Chemical Record (New York, N.Y.)|January 22, 2019
Gold-Palladium Nanocluster Catalysts for Homocoupling: Electronic Structure and Interface DynamicsMasahiro Ehara, U Deva PriyakumarPhysical Chemistry Chemical Physics : PCCP|September 2, 2015
Nucleobases tagged to gold nanoclusters cause a mechanistic crossover in the oxidation of COSandhya Rai, Masahiro Ehara, U Deva PriyakumarChemical Science|June 4, 2021
Enantioseparation and chiral induction in Ag29 nanoclusters with intrinsic chiralityHiroto Yoshida, Masahiro Ehara, U Deva Priyakumar, et al.Physical Chemistry Chemical Physics : PCCP|November 18, 2020
Deep learning enabled inorganic material generatorYashaswi Pathak, Karandeep Singh Juneja, Girish Varma, et al.Journal of Computational Chemistry|May 3, 2024
Deep reinforcement learning in chemistry: A reviewBhuvanesh Sridharan, Animesh Sinha, Jai Bardhan, et al.The Journal of Physical Chemistry. B|July 10, 2010
Atomistic details of the ligand discrimination mechanism of S(MK)/SAM-III riboswitchU Deva PriyakumarJournal of Biomolecular Structure & Dynamics|February 2, 2012
Role of hydrophobic core on the thermal stability of proteins - molecular dynamics simulations on a single point mutant of Sso7d abstractU Deva PriyakumarThe Journal of Physical Chemistry. B|May 2, 2015
Ion hydration dynamics in conjunction with a hydrophobic gating mechanism regulates ion permeation in p7 viroporin from hepatitis C virusSiladitya Padhi, U Deva PriyakumarPhysical Chemistry Chemical Physics : PCCP|July 24, 2014
DNA-RNA hybrid duplexes with decreasing pyrimidine content in the DNA strand provide structural snapshots for the A- to B-form conformational transition of nucleic acidsGorle Suresh, U Deva PriyakumarThe Journal of Physical Chemistry. B|May 22, 2014
Atomistic investigation of the effect of incremental modification of deoxyribose sugars by locked nucleic acid (β-D-LNA and α-L-LNA) moieties on the structures and thermodynamics of DNA-RNA hybrid duplexesGorle Suresh, U Deva PriyakumarPageof 27