Controlling the S1 Energy Profile by Tuning Excited-State Aromaticity.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.0c05611
Abstract: The shape of the lowest singlet excited state (S1) energy profile is of primary importance in photochemistry and related materials science areas. Here we demonstrate a new approach for controlling the shape of the S1… read more here.
Keywords: energy profile; excited state; state aromaticity; energy ... See more keywords
Free energy profile of permeation of Entecavir through Hepatitis B virus capsid studied by molecular dynamics calculation
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DOI: 10.1515/pac-2020-0109
Abstract: Abstract Entecavir, triphosphorylated in liver cells, is an antiviral reagent against Hepatitis B virus (HBV). The reagent inhibits reverse transcription of RNA inside the virus capsid. In the present study, free energy profile of an… read more here.
Keywords: energy; energy profile; capsid; free energy ... See more keywords
Free-Energy Profile Analysis of the Catalytic Reaction of Glycinamide Ribonucleotide Synthetase
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DOI: 10.3390/life12020281
Abstract: The second step in the de novo biosynthetic pathway of purine is catalyzed by PurD, which consumes an ATP molecule to produce glycinamide ribonucleotide (GAR) from glycine and phosphoribosylamine (PRA). PurD initially reacts with ATP… read more here.
Keywords: reaction; energy profile; energy; free energy ... See more keywords