Dikshita Dowerah

Sonitpur, AS 784028, India

Last Updated: 09/26/2026

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Found 13 publications

Single-atom Pd in ZSM-5 for selective oxidation of methane to methanol: a DFT-based ONIOM approach.

Single-atom Pd in ZSM-5 for selective oxidation of methane to methanol: a DFT-based ONIOM approach.

Journal: Physical chemistry chemical physics : PCCP

Published: January 05, 2026

Identification of effective cyclin-dependent kinase 3/cyclin E inhibitors using multi-level computational screening and simulation.

Identification of effective cyclin-dependent kinase 3/cyclin E inhibitors using multi-level computational screening and simulation.

Journal: Computers in biology and medicine

Published: May 15, 2025

Essential oil constituents of regional ethnomedicinal plants as potential inhibitors of SARS-CoV-2 Mpro: an integrated molecular docking, molecular dynamics and QM/MM study.

Essential oil constituents of regional ethnomedicinal plants as potential inhibitors of SARS-CoV-2 Mpro: an integrated molecular docking, molecular dynamics and QM/MM study.

Journal: Journal of biomolecular structure & dynamics

Published: December 17, 2024

A Study Modeling Bridged Nucleic Acid-Based ASOs and Their Impact on the Structure and Stability of ASO/RNA Duplexes.

A Study Modeling Bridged Nucleic Acid-Based ASOs and Their Impact on the Structure and Stability of ASO/RNA Duplexes.

Journal: Langmuir : the ACS journal of surfaces and colloids

Published: October 07, 2024

Oxidation pathways and kinetics of the 1,1,2,3-tetrafluoropropene (CF2CF-CH2F) reaction with Cl-atoms and subsequent aerial degradation of its product radicals in the presence of NO.

Oxidation pathways and kinetics of the 1,1,2,3-tetrafluoropropene (CF2CF-CH2F) reaction with Cl-atoms and subsequent aerial degradation of its product radicals in the presence of NO.

Journal: Environmental science. Processes & impacts

Published: March 01, 2024

Inhibitory potential of furanocoumarins against cyclin dependent kinase 4 using integrated docking, molecular dynamics and ONIOM methods.

Inhibitory potential of furanocoumarins against cyclin dependent kinase 4 using integrated docking, molecular dynamics and ONIOM methods.

Journal: Journal of biomolecular structure & dynamics

Published: January 08, 2024

Reaction Mechanism and Kinetics for the Selective Hydrogenation of Carbon Dioxide to Formic Acid and Methanol over the [Cu2]0,±1 Dimer.

Reaction Mechanism and Kinetics for the Selective Hydrogenation of Carbon Dioxide to Formic Acid and Methanol over the [Cu2]0,±1 Dimer.

Journal: The journal of physical chemistry. A

Published: October 09, 2023

Oxido- and mixed-ligand peroxido complexes of niobium(V) as potent phosphatase inhibitors and efficient catalysts for eco-friendly styrene epoxidation.

Oxido- and mixed-ligand peroxido complexes of niobium(V) as potent phosphatase inhibitors and efficient catalysts for eco-friendly styrene epoxidation.

Journal: Dalton transactions (Cambridge, England : 2003)

Published: July 11, 2023

Reverse vaccinology and immunoinformatics approach to design a chimeric epitope vaccine against Orientia tsutsugamushi.

Reverse vaccinology and immunoinformatics approach to design a chimeric epitope vaccine against Orientia tsutsugamushi.

Journal: Heliyon

Published: March 30, 2023

Structural insight into locked nucleic acid based novel antisense modifications: A DFT calculations at monomer and MD simulations at oligomer level.

Structural insight into locked nucleic acid based novel antisense modifications: A DFT calculations at monomer and MD simulations at oligomer level.

Journal: Journal of molecular graphics & modelling

Published: March 08, 2021

Immunoinformatics mapping of potential epitopes in SARS-CoV-2 structural proteins.

Immunoinformatics mapping of potential epitopes in SARS-CoV-2 structural proteins.

Journal: PloS one

Published: January 19, 2021

Tuning the transition barrier of H2 dissociation in the hydrogenation of CO2 to formic acid on Ti-doped Sn2O4 clusters.

Tuning the transition barrier of H2 dissociation in the hydrogenation of CO2 to formic acid on Ti-doped Sn2O4 clusters.

Journal: Physical chemistry chemical physics : PCCP

Published: December 15, 2020

Showing 1-12 of 13

Last Updated: 09/26/2026