Subrat Kumar Pattanayak

Molecular structure, vibrational spectra, NMR, UV, NBO, NLO, HOMO-LUMO and molecular docking of 2-(4, 6-dimethyl-1-benzofuran-3-yl) acetic acid (2DBAA): Experimental and theoretical approach

Sudhir M. Hiremath, A. Suvitha, N.R. Patil et al. · Journal of Molecular Structure · 2018 · 92 citations

Molecular Spectroscopy, Engineering, Organic Chemistry +5

Adsorptive behavior of zeolitic imidazolate framework-8 towards anionic dye in aqueous media: Combined experimental and molecular docking study

Jagannath Panda, Jitendra Kumar Sahoo, Prasan Kumar Panda et al. · Journal of Molecular Liquids · 2019 · 76 citations

Adsorptive Behavior, Chemical Engineering, Engineering +11

Synthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H- [1, 3, 4] oxadiazole-2-thione and investigation of its spectroscopic, reactivity, optoelectronic and drug likeness properties by combined computational and experimental approach

Sudhir M. Hiremath, A. Suvitha, N.R. Patil et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2018 · 54 citations

Heterocyclic, Experimental Approach, Organic Chemistry +4

Effect of Water on Solvation Structure and Dynamics of Ions in the Peptide Bond Environment: Importance of Hydrogen Bonding and Dynamics of the Solvents

Subrat Kumar Pattanayak, Snehasis Chowdhuri · The Journal of Physical Chemistry B · 2011 · 53 citations

Engineering, Rotational Motion, Computational Chemistry +19

Molecular docking and molecular dynamics simulation studies on PLCE1 encoded protein

Satya Narayan Sahu, Subrat Kumar Pattanayak · Journal of Molecular Structure · 2019 · 43 citations

Protein Assembly, Protein Folding, Medicine +7