Complexation between inorganic-fullerene B12N12 nanocage cluster and Schiff's bases of trans-2-hexenal with cytosine and L-leucine
P Surendar, MK Al-Sadoon, SK Jesudoss… - Molecular …, 2024 - Taylor & Francis
The study investigates the noncovalent interactions between Schiff's base derivatives of
trans-2-hexenal and the B12N12 inorganic-fullerene nanocage cluster using density …
trans-2-hexenal and the B12N12 inorganic-fullerene nanocage cluster using density …
Molecular Interactions Between Hexanal Schiff Bases and Boron Nanocages: A DFT Approach
P Surendar, SK Jesudoss, C Raja… - Journal of …, 2024 - ui.adsabs.harvard.edu
This study explores the interactions between hexanal Schiff bases and a B12N12 nanocage,
employing density functional theory (DFT) calculations to deepen our understanding of …
employing density functional theory (DFT) calculations to deepen our understanding of …
Computational Analysis of Phase I Metabolism in Clinically Studied Flavoalkaloids: Molecular Docking, MMGBSA Binding Energy Calculations, and Molecular …
Flavoalkaloids, a potent class of cyclin‐dependent kinase inhibitors, have undergone
extensive clinical trials across various cancer types. Among them, flavopiridol, riviciclib, and …
extensive clinical trials across various cancer types. Among them, flavopiridol, riviciclib, and …
Optoelectronic and DFT Studies of 4-((4-(dimethylamine) benzylidene) amino)-N-(thiazol-2-yl): A Quantum Computational Approach
Sulfathiazole molecules possess distinct optoelectronic characteristics, altered band edges,
robust electron affinity, and efficient charge transfer abilities. These unique features make …
robust electron affinity, and efficient charge transfer abilities. These unique features make …