Browsing by Author "0e9f86da-d6e0-4bf5-9e42-737c96226c02"
Now showing items 1-5 of 5
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A study of the cis–trans isomerization preference of N-alkylated peptides containing phosphorus in the side chain and backbone
(2019)The current work provides a study on the cis–trans isomerization behaviour of N-alkylated peptides decorated with phosphonate ester groups. A Ugi four-component reaction was chosen for the synthesis of N-alkylated peptides, ...
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Chlorogenic acid inhibits human platelet activation and thrombus formation
Rojas, Armando
; ; ; ; (2014)
Background: Chlorogenic acid is a potent phenolic antioxidant. However, its effect on platelet aggregation, a critical factor in arterial thrombosis, remains unclear. Consequently, chlorogenic acid-action mechanisms in ...
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Multi-scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins
(2020)Evaluating the availability of molecular oxygen (O2 ) and energy of excited states in the retinal binding site of rhodopsin is a crucial challenging first step to understand photosensitizing reactions in wild-type (WT) and ...
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On the nature of the enzyme–substrate complex and the reaction mechanism in human Arginase I. A combined molecular dynamics and QM/MM study
(2020)We present here a complete detailed theoretical analysis of l-arginine hydrolysis catalyzed by human arginase I (HARGI). Our study combines classical molecular dynamics (MD) simulations of different models for the ...
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Rationalizing the stability and interactions of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-hydroxy-3,5-dinitrobenzoate salt
(2019)The crystal structure of the salt produced by the reaction of pyrimethamine (an antimalarial drug) with 2-hydroxy-3,5-dinitrobenzoic acid [systematic name: 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-hydroxy- ...