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The Journal of Physical Chemistry Letters|August 16, 2015
Prediction of Superhalogen-Stabilized Noble Gas CompoundsDevleena SamantaJournal of the American Chemical Society|May 8, 2012
Zn in the +III oxidation stateDevleena Samanta, Puru JenaJournal of Computational Biology : a Journal of Computational Molecular Cell Biology|February 17, 2025
Subject-Specific Dosage Estimation for Primary Hypothyroidism Using Sparse DataDevleena Ghosh, Chittaranjan MandalIEEE/ACM Transactions on Computational Biology and Bioinformatics|August 6, 2020
Clustering Based Parameter Estimation of Thyroid Hormone PathwayDevleena Ghosh, Chittaranjan MandalNature Communications|April 27, 2023
Engineering protein-based therapeutics through structural and chemical designSasha B Ebrahimi, Devleena SamantaJournal of the American Chemical Society|December 6, 2002
Exploring nucleoside hydrolase catalysis in silico: molecular dynamics study of enzyme-bound substrate and transition stateDevleena Mazumder, Thomas C BruiceJournal of Chemical Theory and Computation|November 27, 2015
Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent ModelDevleena Shivakumar, Yuqing Deng, Benoît RouxBiochemistry|May 25, 2005
Computational study of IAG-nucleoside hydrolase: determination of the preferred ground state conformation and the role of active site residuesDevleena Mazumder-Shivakumar, Thomas C BruiceProceedings of the National Academy of Sciences of the United States of America|September 29, 2004
Molecular dynamics studies of ground state and intermediate of the hyperthermophilic indole-3-glycerol phosphate synthaseDevleena Mazumder-Shivakumar, Thomas C BruiceThe Journal of Physical Chemistry. A|June 12, 2013
Nitrate superhalogens as building blocks of hypersaltsSwayamprabha Behera, Devleena Samanta, Puru JenaPageof 10