DFT-based quantitative structure–activity relationship studies for antioxidant peptides

Antioxidant Function of Isoflavone and 3,3′-Diindolylmethane: Are They Important for Cancer Prevention and Therapy?

(2013) Yiwei Li et al.   ANTIOXIDANTS & REDOX SIGNALING

Response electric properties of α-helix polyglycines: A CAM-B3LYP DFT investigation

(2013) Andrea Alparone   CHEMICAL PHYSICS LETTERS

Formation of the OOH radical at steps of the boehmite surface and its inhibition by gallic acid: A theoretical study including DFT-based dynamics

(2013) T. Ribeiro et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

A DFT method for the study of the antioxidant action mechanism of resveratrol derivatives

(2013) Ali Benayahoum et al.   JOURNAL OF MOLECULAR MODELING

Does Adsorption at Hydroxyapatite Surfaces Induce Peptide Folding? Insights from Large-Scale B3LYP Calculations

(2012) Albert Rimola et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical and experimental studies on the structure-antioxidant activity relationship of synthetic 4-methylcoumarins

(2012) A. Barzegar et al.   Journal of the Iranian Chemical Society

Elevated Oxidative Stress and Decreased Antioxidant Function in the Human Hippocampus and Frontal Cortex with Increasing Age: Implications for Neurodegeneration in Alzheimer’s Disease

(2012) C. Venkateshappa et al.   NEUROCHEMICAL RESEARCH

Oxygenolysis reaction mechanism of copper-dependent quercetin 2,3-dioxygenase: A density functional theory study

(2012) HuJun Xie et al.   Science China-Chemistry

Ab initio study regarding the evaluation of the antioxidant character of cyanidin, delphinidin and malvidin

(2011) Raluca Pop et al.   CENTRAL EUROPEAN JOURNAL OF CHEMISTRY

Purification and characterisation of a new antioxidant peptide from chickpea (Cicer arietium L.) protein hydrolysates

(2011) Tao Zhang et al.   FOOD CHEMISTRY

In Vitro Antioxidant Activity of Selected 4-Hydroxy-chromene-2-one Derivatives—SAR, QSAR and DFT Studies

(2011) Milan Mladenović et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Quantitative structure–activity relationship study of antioxidative peptide by using different sets of amino acids descriptors

(2011) Yao-Wang Li et al.   JOURNAL OF MOLECULAR STRUCTURE

Increased Oxidative Damage and Decreased Antioxidant Function in Aging Human Substantia Nigra Compared to Striatum: Implications for Parkinson’s Disease

(2011) C. Venkateshappa et al.   NEUROCHEMICAL RESEARCH

DFT/B3LYP study of the substituent effects on OH bond dissociation enthalpies of chroman derivatives in the gas phase and solvent environment

(2011) Meysam Najafi et al.   Computational and Theoretical Chemistry

The linear response kernel of conceptual DFT as a measure of electron delocalisation

(2010) Nick Sablon et al.   CHEMICAL PHYSICS LETTERS

Production of antioxidant hydrolyzates from a whey protein concentrate with thermolysin: Optimization by response surface methodology

(2010) María del Mar Contreras et al.   LWT-FOOD SCIENCE AND TECHNOLOGY

Gaussian process: an alternative approach for QSAM modeling of peptides

(2009) Peng Zhou et al.   AMINO ACIDS

Anti-oxidative capacity of enzymatically released peptides from soybean protein isolate

(2009) Christopher Beermann et al.   EUROPEAN FOOD RESEARCH AND TECHNOLOGY

Evaluation of new thiadiazoles and benzothiazoles as potential radioprotectors: Free radical scavenging activity in vitro and theoretical studies (QSAR, DFT)

(2009) Caroline Prouillac et al.   FREE RADICAL BIOLOGY AND MEDICINE

Recent Advances in QSAR and Their Applications in Predicting the Activities of Chemical Molecules, Peptides and Proteins for Drug Design

(2008) Qi-Shi Du et al.   CURRENT PROTEIN & PEPTIDE SCIENCE

Antioxidant activity of ovine casein hydrolysates: identification of active peptides by HPLC–MS/MS

(2008) José Ángel Gómez-Ruiz et al.   EUROPEAN FOOD RESEARCH AND TECHNOLOGY

DPPH antioxidant assay revisited

(2008) Om P. Sharma et al.   FOOD CHEMISTRY

Reducing, Radical Scavenging, and Chelation Properties of in Vitro Digests of Alcalase-Treated Zein Hydrolysate

(2008) Lijuan Zhu et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Prediction of bond dissociation enthalpy of antioxidant phenols by support vector machine

(2008) Chanin Nantasenamat et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

A novel descriptor of amino acids and its application in peptide QSAR

(2008) Jianbo Tong et al.   JOURNAL OF THEORETICAL BIOLOGY

Quantitative structure activity relationship of IA3-like peptides as aspartic proteinase inhibitors

(2008) Juan Alexander Padrón-García et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS