This paper presents an analytical comparison of active and passive receiver models in diffusive molecular communication. In the active model, molecules are absorbed when they collide with the receiver ...

Thus, this molecular docking observation validated the fact that sugar osmolytes form several H bonds with α-LA and this H bonding might play a key role in the prevention of α-LA aggregation. Hence, ...

Methods The effect of the active ingredients of Lycium barbarum in the treatment of liver cancer was verified by molecular docking, based on a previous study that examined the impact of Lycium ...

The Flory−Huggins interaction is measured for a model rod−coil block copolymer system, poly (alkoxyphenylenevinylene- b -isoprene), by fitting the interfacial segregation of block copolymer to a ...

The effect of temperature on the distribution and transport of water molecules in a model epoxy molding compound (EMC) system is investigated using atomistic molecular dynamics simulation with 4 and 7 ...

Molecular docking and validation of results The docking study was performed to analyse the inhibition role of phytochemicals against both domains of NS5 protein i.e. MTase and RdRp. The ligand and ...

Automated molecular docking pipeline for batch processing UniProt proteins and PubChem ligands using AutoDock Vina and Meeko. Zero-setup virtual screening with predefined drug-target pairs Here we ...