Extensive molecular field theoretical investigation of thermotropic biaxial nematics composed of board-like (D2h) molecules in the partially repulsive regime of orientational interactions
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2017.10.093
Abstract: Abstract A recently proposed molecular-field approach, based on the formulation of an approximate, analytical orientational partition function to describe the thermodynamic properties of D2h thermotropic biaxial nematics governed by fully attractive orientational interactions (G. Celebre,… read more here.
Keywords: thermotropic biaxial; molecular field; biaxial nematics; orientational interactions ... See more keywords
Insights on inhibition of Plasmodium falciparum plasmepsin I by novel epoxyazadiradione derivatives – molecular docking and comparative molecular field analysis
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2018.1510342
Abstract: Abstract In the present study, we have explored the anti-malarial potential of epoxyazadiradione, the natural entity extracted from the neem seed oil and its chemical derivatives, against Plasmodium falciparum. The Surflex dock analysis of 41… read more here.
Keywords: comparative molecular; molecular field; analysis; field analysis ... See more keywords
SCERPA Simulation of Clocked Molecular Field-Coupling Nanocomputing
Sign Up to like & getrecommendations! Published in 2021 at "IEEE Transactions on Very Large Scale Integration (VLSI) Systems"
DOI: 10.1109/tvlsi.2020.3045198
Abstract: Among all the possible technologies proposed for post-CMOS computing, molecular field-coupled nanocomputing (FCN) is one of the most promising technologies. The information propagation relies on electrostatic interactions among single molecules, overcoming the need for electron… read more here.
Keywords: propagation; field; simulation clocked; molecular field ... See more keywords