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Biocatalytic Aza‐Michael Addition of Aromatic Amines to Enone Using α‐Amylase in Water

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This article is published in Advanced Synthesis & Catalysis.The article was published on 2020-02-21. It has received 24 citations till now. The article focuses on the topics: Enone & Michael reaction.

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First biocatalytic Groebke-Blackburn-Bienaymé reaction to synthesize imidazo[1,2-a]pyridine derivatives using lipase enzyme

TL;DR: First biocatalytic synthesis of clinically important imidazo[1,2- a]pyridine based compounds has been achieved and preliminary mechanistic studies suggested that Thr40 and Ser105 residues are playing an important role in catalyzing the GBB-reaction.
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Experimental and computational evidence on gold-catalyzed regioselective hydration of phthalimido-protected propargylamines: an entry to β-amino ketones

TL;DR: The results suggest that the electronic features of the initial adduct between the propargyl triple bond and the Au(i) catalyst, in particular the character of the gold-triple bond interaction, are essential for the observed regioselectivity.
References
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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

TL;DR: AutoDock Vina achieves an approximately two orders of magnitude speed‐up compared with the molecular docking software previously developed in the lab, while also significantly improving the accuracy of the binding mode predictions, judging by tests on the training set used in AutoDock 4 development.
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Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born

TL;DR: An implementation of generalized Born implicit solvent all-atom classical molecular dynamics within the AMBER program package that runs entirely on CUDA enabled NVIDIA graphics processing units (GPUs) and shows performance that is on par with, and in some cases exceeds, that of traditional supercomputers.
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NBO 6.0: natural bond orbital analysis program.

TL;DR: The NBO 6.0 as mentioned in this paper is a new version of the NBO that provides novel "link-free" interactivity with host electronic structure systems, improved search algorithms and labeling conventions, and new analysis options that significantly extend the range of chemical applications.
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The Thiol-Michael Addition Click Reaction: A Powerful and Widely Used Tool in Materials Chemistry

TL;DR: This review examines the reaction mechanisms, the substrates and catalysts used in the reaction, and the subsequent implementation of the thiol-Michael reaction in materials science.
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Michael addition reactions in macromolecular design for emerging technologies

TL;DR: The role of the Michael addition reaction in polymer synthesis with attention to applications in emerging technologies including biomedical, pharmaceutical, optoelectronic, composites, adhesives, and coatings is outlined.
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