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The conversion of L-lysine into L-β-lysine: the role of 5′-deoxyadenosyl radical and water—a DFT study
Authors:
511
0
Journal of Molecular Modeling
:
:
:
https://doi.org/10.1007/s00894-020-04639-3
Publishing year:
2021
Theoretical study on the reaction mechanism of a indirect decomposition of nitrous oxide (N2O) by carbon monoxide (CO) on the silver cluster Ag7
Theoretical study of the reaction mechanism of the Propargyl radical with cacbon mono oxide by the Density functional theory (DFT)
Theoretical study of structure and properties of some bi-metal clusters AgnM (n = 1-9, M = Fe, Co, Ni).
A theoretical investigation on SinMn2+ Clusters (n = 1–10): Geometry, stability, and magnetic properties
Theoretical investigation of the mechanism of indirect decomposition of nitrous oxide (N2O) by hydrogen (H2) on Cu7 cluster
Antioxidation of 2-phenylbenzofuran derivatives: structural-electronic effects and mechanisms
Novel pH‑Sensitive Hydrogel Beads Based on Carrageenan and Fish Scale Collagen for Allopurinol Drug Delivery
Theoretical study of structures and properties of some silole compounds
Quinolone and isoquinolone alkaloids: the structural-electronic effects and the antioxidant mechanisms
Antioxidative Capacities of Stilbenoid Suaveolensone A and Flavonoid Suaveolensone B: A Detailed analysis of Structural-Electronic Properties and Mechanisms
Thermodynamic study on antioxidative action of cynandione A: a DFT approach
Antioxidative and α‑glucosidase inhibitory constituents of Polyscias guilfoylei: experimental and computational assessments
Antioxidant of Trans-Resveratrol: A Comparison between OH and CH Groups Based on Thermodynamic Views
Benzofuran–stilbene hybrid compounds: an antioxidant assessment – a DFT study
The antioxidative potential of benzofuran-stilbene hybrid derivatives: a comparison between natural and synthetic compounds
A theoretical investigation of the adsorption capacities of HCHO, HCOOH, CH3OH on M4 clusters (M = Au, Pd, Pt)
Mechanistic insights into the dehydrogenation of formaldehyde, formic acid and methanol using the Pt4 cluster as a promising catalyst
Chapter 8 A Cluster Model for Interpretation of Surface-Enhanced Raman Scattering of Organic Compounds Interacting with Silver Nanoparticles
A theoretical study on the kinetics for ethanol reaction with formyl radical
Studies on the antioxidant activity of apigenin, luteolin and nevadensin using DFT
Thermodynamic and Kinetic Studies on Antioxidant Capacity of Amentoflavone: A DFT (Density Functional Theory) Computational Approach
The antioxidative potential of procyanidin B1: DFT (density functional theory) and docking approaches
Potential for Aedes aegypti Larval Control and Environmental Friendliness of the Compounds Containing 2‑Methyl-3,4- dihydroquinazolin-4-one Heterocycle
Effect of extended π-conjugation on photophysical characteristics of chalcone and cinnamylideneacetophenone
Essential Oils from the Trunks and Leaves of Paramignya scandens (Griff.) Craib from Vietnam: Phytochemical Composition, In vitro α-Amylase and Tyrosinase Inhibitory Activities and In Silico Molecular Docking Studies
A theoretical study of the oxidation of benzene by manganese oxide clusters: formation of quinone intermediates
In silico molecular docking, DFT, and toxicity studies of potential inhibitors derived from Millettia dielsiana against human inducible nitric oxide synthase
Synergistic effect of the heterojunction g-C3N4/Bi2MoO6/clinoptilolite to enhance the photocatalytic degradation of antibiotics in water in the presence of persulfate