2023

Investigating the inhibitory and penetrating properties of three novel anticancer and antimicrobial scorpion peptides via molecular docking and molecular dynamic simulation

Herbivory-inducible lipid-transfer proteins (LTPs) of Cicer arietinum as potential human allergens

Computational investigation of aphid odorant receptor structure and binding function

"Seasonal variation of the composition of essential oils from Piper cernuum Vell and Piper rivinoides Kunth, ADMET study, DFT calculations, molecular docking and dynamics studies of major components as potent inhibitors of the heterodimer methyltransferase complex NSP16-NSP10 SARS COV-2 protein"

2022

Molecular and functional characterization of buffalo nasal epithelial odorant binding proteins and their structural insights by in silico and biochemical approaches

2014

Insights on pH-dependent conformational changes of mosquito odorant binding proteins by molecular dynamics simulations

2013

Molecular simulations study of ligand-release mechanism in an odorant-binding protein from the southern house mosquito

2000

Grafting of protein-protein interaction epitope