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The Journal of Physical Chemistry. B
|
October 14, 2024
Assessing the Noncovalent Interaction of Deucravacitinib and Ethanol with Special Reference to an Independent Gradient Model Based on Hirshfeld Partition
Jisha Mary Thomas, Abdullah Y Alzahrani, Priyadharshini Govindarajan, et al.
Heliyon
|
August 8, 2019
DFT and molecular docking investigations of oxicam derivatives
Y Shyma Mary, Y Sheena Mary, K S Resmi, et al.
Biochemical and Biophysical Research Communications
|
November 19, 2025
Multifaceted potency of green synthesized pyridine derived Schiff base: A comprehensive study of antimicrobial, antioxidant, anti-inflammatory, cytotoxic, and Enzymatic properties with density Functional Theory and bioinformatics insights
K J Rajimon, Abdullah Yahya Abdullah Alzahrani, Pooventhiran Thangaiyan, et al.
Bioorganic Chemistry
|
January 29, 2025
Design, Synthesis, Biocompatibility, molecular docking and molecular dynamics studies of novel Benzo[b]thiophene-2-carbaldehyde derivatives targeting human IgM Fc Domains
K J Rajimon, Abdullah Yahya Abdullah Alzahrani, Pooventhiran Thangaiyan, et al.
Chemistry & Biodiversity
|
December 16, 2024
In Silico Analysis of Curcumin's Targeted Cancer Therapy: Folate Receptor Pathways and Molecular Interaction Insights
K J Rajimon, Rafa Almeer, Pooventhiran Thangaiyan, et al.
Journal of Molecular Modeling
|
July 13, 2023
Evidences of noncovalent interactions between indole and dichloromethane under different solvent conditions
Jamelah S Al-Otaibi, Y Sheena Mary, Y Shyma Mary, et al.
ACS Omega
|
May 18, 2026
A DFT Study on the Interaction Mechanisms and Adsorption-Induced Raman Spectral Changes of Tire-Derived Contaminants 6PPD/6PPD‑Q with Au16 Nanoclusters
Ge Guo, Jiangtao Han, Mingxia Tang, et al.
Journal of Molecular Graphics & Modelling
|
February 18, 2019
α-methylation and α-fluorination electronic effects on the regioselectivity of carbonyl groups of uracil by H and triel bonds in the interaction of U, T and 5FU with HCl and TrH<sub>3</sub> (Tr = B, Al)
Aristote Matondo, Renjith Thomas, Philippe Vuka Tsalu, et al.
Journal of Molecular Liquids
|
March 22, 2021
Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib
Nabil Al-Zaqri, T Pooventhiran, Fahad A Alharthi, et al.
Heliyon
|
April 5, 2021
Growth, spectral, optical, electrical and computational analysis of sodium oxalate single crystals
R Ramalakshmi, S Stella Mary, S Shahil Kirupavathy, et al.
Page
of 6
Search research articles
Search
Showing results (11-20 of 51) with videos related to
Sort By:
Page
of 6
The Journal of Physical Chemistry. B
|
October 14, 2024
Assessing the Noncovalent Interaction of Deucravacitinib and Ethanol with Special Reference to an Independent Gradient Model Based on Hirshfeld Partition
Jisha Mary Thomas, Abdullah Y Alzahrani, Priyadharshini Govindarajan, et al.
Heliyon
|
August 8, 2019
DFT and molecular docking investigations of oxicam derivatives
Y Shyma Mary, Y Sheena Mary, K S Resmi, et al.
Biochemical and Biophysical Research Communications
|
November 19, 2025
Multifaceted potency of green synthesized pyridine derived Schiff base: A comprehensive study of antimicrobial, antioxidant, anti-inflammatory, cytotoxic, and Enzymatic properties with density Functional Theory and bioinformatics insights
K J Rajimon, Abdullah Yahya Abdullah Alzahrani, Pooventhiran Thangaiyan, et al.
Bioorganic Chemistry
|
January 29, 2025
Design, Synthesis, Biocompatibility, molecular docking and molecular dynamics studies of novel Benzo[b]thiophene-2-carbaldehyde derivatives targeting human IgM Fc Domains
K J Rajimon, Abdullah Yahya Abdullah Alzahrani, Pooventhiran Thangaiyan, et al.
Chemistry & Biodiversity
|
December 16, 2024
In Silico Analysis of Curcumin's Targeted Cancer Therapy: Folate Receptor Pathways and Molecular Interaction Insights
K J Rajimon, Rafa Almeer, Pooventhiran Thangaiyan, et al.
Journal of Molecular Modeling
|
July 13, 2023
Evidences of noncovalent interactions between indole and dichloromethane under different solvent conditions
Jamelah S Al-Otaibi, Y Sheena Mary, Y Shyma Mary, et al.
ACS Omega
|
May 18, 2026
A DFT Study on the Interaction Mechanisms and Adsorption-Induced Raman Spectral Changes of Tire-Derived Contaminants 6PPD/6PPD‑Q with Au16 Nanoclusters
Ge Guo, Jiangtao Han, Mingxia Tang, et al.
Journal of Molecular Graphics & Modelling
|
February 18, 2019
α-methylation and α-fluorination electronic effects on the regioselectivity of carbonyl groups of uracil by H and triel bonds in the interaction of U, T and 5FU with HCl and TrH<sub>3</sub> (Tr = B, Al)
Aristote Matondo, Renjith Thomas, Philippe Vuka Tsalu, et al.
Journal of Molecular Liquids
|
March 22, 2021
Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib
Nabil Al-Zaqri, T Pooventhiran, Fahad A Alharthi, et al.
Heliyon
|
April 5, 2021
Growth, spectral, optical, electrical and computational analysis of sodium oxalate single crystals
R Ramalakshmi, S Stella Mary, S Shahil Kirupavathy, et al.
Page
of 6