Related references
Note: Only part of the references are listed.Stereoselective interactions of lactic acid enantiomers with HSA: Spectroscopy and docking application
Hongtao Mu et al.
FOOD CHEMISTRY (2019)
Interaction between quinoline yellow and human serum albumin: spectroscopic, chemometric and molecular docking studies
Rui Wang et al.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE (2019)
Application of CdTe/CdS/ZnS quantum dot in immunoassay for aflatoxin B1 and molecular modeling of antibody recognition
Fuyuan Zhang et al.
ANALYTICA CHIMICA ACTA (2019)
Interactions of polyunsaturated fatty acids with amyloid peptides Aβ40 and Aβ42
Amna El Shatshat et al.
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS (2019)
Elucidating the inhibitory potential of Vitamin A against fibrillation and amyloid associated cytotoxicity
Parvez Alam et al.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2019)
Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase
Sylwia Czarnota et al.
ACS CATALYSIS (2019)
Comparative analysis of the interaction of mono-, dis-, and tris-azo food dyes with egg white lysozyme: A combined spectroscopic and computational simulation approach
Di Wu et al.
FOOD CHEMISTRY (2019)
Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence
Zong-Ying Liu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Identification, structure-activity relationship and in silico molecular docking analyses of five novel angiotensin I-converting enzyme (ACE)-inhibitory peptides from stone fish (Actinopyga lecanora) hydrolysates
Shehu Muhammad Auwal et al.
PLOS ONE (2019)
Water-soluble vitamins for controlling starch digestion: Conformational scrambling and inhibition mechanism of human pancreatic α-amylase by ascorbic acid and folic acid
Pallab Kumar Borah et al.
FOOD CHEMISTRY (2019)
Digested total protein and protein fractions from chia seed (Salvia hispanica L.) had high scavenging capacity and inhibited 5-LOX, COX-1-2, and iNOS enzymes
Mariana Grancieri et al.
FOOD CHEMISTRY (2019)
Study on the interaction of ertugliflozin with human serum albumin in vitro by multispectroscopic methods, molecular docking, and molecular dynamics simulation
Wenjing Wang et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2019)
Ceramide regulates interaction of Hsd17b4 with Pex5 and function of peroxisomes
Zhihui Zhu et al.
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS (2019)
HSA-interaction studies of uranyl complexes of alkyl substituted isothiosemicarbazone
Seyed Ali Yasrebi et al.
JOURNAL OF MOLECULAR STRUCTURE (2019)
A receptor-based chemiluminescence enzyme linked immunosorbent assay for determination of tetracyclines in milk
Ge Wang et al.
ANALYTICAL BIOCHEMISTRY (2019)
Molecular docking and simulation of the synergistic effect between umami peptides, monosodium glutamate and taste receptor T1R1/T1R3
Yali Dang et al.
FOOD CHEMISTRY (2019)
Investigating lignin from Canna edulis ker residues induced activation of α-amylase: Kinetics, interaction, and molecular docking
Fan Xie et al.
FOOD CHEMISTRY (2019)
Development of a monoclonal antibody-based immunoaffinity chromatography and a sensitive immunoassay for detection of spinosyn A in milk, fruits, and vegetables
Jianqiang Lan et al.
FOOD CONTROL (2019)
Purification, identification and characterization of two novel antioxidant peptides from finger millet (Eleusine coracana) protein hydrolysate
Himani Agrawal et al.
FOOD RESEARCH INTERNATIONAL (2019)
The relationship between breaking force and hydrophobic interactions or disulfide bonds involved in heat-induced soy protein gels as affected by heating time and temperature
Chao Wu et al.
INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY (2019)
Key amino acid residues of the AGT1 permease required for maltotriose consumption and fermentation by Saccharomyces cerevisiae
D. Trichez et al.
JOURNAL OF APPLIED MICROBIOLOGY (2019)
Diarylheptanoid, a constituent isolated from methanol extract of Alpinia officinarum attenuates TNF-α level in Freund's complete adjuvant-induced arthritis in rats
Varsha S. Honmore et al.
JOURNAL OF ETHNOPHARMACOLOGY (2019)
Molecular characterization of the effects of Ganoderma Lucidum polysaccharides on the structure and activity of bovine serum albumin
Yanqing Wang et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2019)
Vitamin D as a modulating agent of metformin and insulin in patients with type 2 diabetes
Fatemeh Abdi et al.
JOURNAL OF RESEARCH IN PHARMACY (2019)
Characterization and molecular docking of new 17 fatty acid desaturase genes from Rhizophagus irregularis and Octopus bimaculoides
Chunchi Rong et al.
RSC ADVANCES (2019)
Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2
Veronica Salmaso et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2018)
Application of molecular docking for the degradation of organic pollutants in the environmental remediation: A review
Zhifeng Liu et al.
CHEMOSPHERE (2018)
Protein structure-based drug design: from docking to molecular dynamics
Pawel Sledz et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2018)
Interactions of cinnamaldehyde and its metabolite cinnamic acid with human serum albumin and interference of other food additives
Qiaomei Sun et al.
FOOD CHEMISTRY (2018)
In-silico prediction of sweetness using structure-activity relationship models
Anukrati Goel et al.
FOOD CHEMISTRY (2018)
Exploration of the molecular interactions between angiotensin-I-converting enzyme (ACE) and the inhibitory peptides derived from hazelnut (Corylus heterophylla Fisch.)
Chunlei Liu et al.
FOOD CHEMISTRY (2018)
Self-assembled mechanism of hydrophobic amino acids and β-cyclodextrin based on experimental and computational methods
Jiaqi Li et al.
FOOD RESEARCH INTERNATIONAL (2018)
Spectroscopy and molecular dynamics simulation study on the interaction of sunset yellow food additive with pepsin
Fatemeh S. Mohseni-Shahri et al.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2018)
Insights into hydrolysis versus transfructosylation: Mutagenesis studies of a novel levansucrase from Brenneria sp EniD312
Wei Xu et al.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2018)
Kinetic, spectroscopic and computational docking study of the inhibitory effect of the pesticides 2,4,5-T, 2,4-D and glyphosate on the diphenolase activity of mushroom tyrosinase
Vibol Sok et al.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2018)
Association of vitamin D deficiency and type 1 diabetes mellitus: a systematic review and meta-analysis
Vanessa Rabello Lovisi Sales de Oliveira et al.
INTERNATIONAL JOURNAL OF DIABETES IN DEVELOPING COUNTRIES (2018)
Inhibitory Effect of Persimmon Tannin on Pancreatic Lipase and the Underlying Mechanism in Vitro
Wei Zhu et al.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2018)
Docking Screens for Dual Inhibitors of Disparate Drug Targets for Parkinson's Disease
Mariama Jaiteh et al.
JOURNAL OF MEDICINAL CHEMISTRY (2018)
A review of molecular simulation applied in vapor-liquid equilibria (VLE) estimation of thermodynamic cycles
Xianhua Nie et al.
JOURNAL OF MOLECULAR LIQUIDS (2018)
In silico modeling and synthesis of phenyl and thienyl analogs of chalcones for potential leads as anti-bacterial agents
Swayamsiddha Kar et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
Free-Energy Analysis of Peptide Binding in Lipid Membrane Using All-Atom Molecular Dynamics Simulation Combined with Theory of Solutions
Tomoko Mizuguchi et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
In vitro and in silico antimicrobial activity of sterol and flavonoid isolated from Trianthema decandra L
Geethalakshmi Rajarathinam et al.
MICROBIAL PATHOGENESIS (2018)
Binding of Catechins to Staphylococcal Enterotoxin A
Yuko Shimamura et al.
MOLECULES (2018)
Development and characterization of DNA aptamers against florfenicol: Fabrication of a sensitive fluorescent aptasensor for specific detection of florfenicol in milk
Atefeh Sarafan Sadeghi et al.
TALANTA (2018)
Advancement and prospects of bioinformatics analysis for studying bioactive peptides from food-derived protein: Sequence, structure, and functions
Maolin Tu et al.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY (2018)
Inhibition of alpha-amylases by pentagalloyl glucose: Kinetics, molecular dynamics and consequences for starch absorption
Camila Gabriel Kato-Schwartz et al.
JOURNAL OF FUNCTIONAL FOODS (2018)
Molecular Docking Analysis and Biochemical Evaluation of Levansucrase from Sphingobium chungbukense DJ77
Soo Youn Lee et al.
ACS COMBINATORIAL SCIENCE (2018)
Anti-Alzheimers activity and molecular mechanism of albumin-derived peptides against AChE and BChE
Zhipeng Yu et al.
FOOD & FUNCTION (2018)
Two New Secreted Proteases Generate a Casein-Derived Antimicrobial Peptide in Bacillus cereus Food Born Isolate Leading to Bacterial Competition in Milk
Awatef Ouertani et al.
FRONTIERS IN MICROBIOLOGY (2018)
Understanding of imidazolium group hydration and polymer structure for hydroxide anion conduction in hydrated imidazolium-g-PPO membrane by molecular dynamics simulations
Ning Zhang et al.
CHEMICAL ENGINEERING SCIENCE (2018)
Homology modeling, molecular docking, and dynamics of two alpha-methyl-D-mannoside-specific lectins from Arachis genus
Kyria Santiago Nascimento et al.
JOURNAL OF MOLECULAR MODELING (2018)
Megaloblastic Anemia Progressing to Severe Thrombotic Microangiopathy in Patients with Disordered Vitamin B12 Metabolism: Case Reports and Literature Review
Dolores Mullikin et al.
JOURNAL OF PEDIATRICS (2018)
Computational Molecular Docking and X-ray Crystallographic Studies of Catechins in New Drug Design Strategies
Shogo Nakano et al.
MOLECULES (2018)
Molecular rules for selectivity in lipase-catalysed acylation of lysine
L. Dettori et al.
PROCESS BIOCHEMISTRY (2018)
Selected aryl thiosemicarbazones as a new class of multi-targeted monoamine oxidase inhibitors
Bijo Mathew et al.
MEDCHEMCOMM (2018)
Inhibitory effect of astaxanthin on pancreatic lipase with inhibition kinetics integrating molecular docking simulation
Xiping Du et al.
JOURNAL OF FUNCTIONAL FOODS (2018)
Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview
Veronica Salmaso et al.
FRONTIERS IN PHARMACOLOGY (2018)
The potential peptides against angiotensin-I converting enzyme through a virtual tripeptide-constructing library
Thitima Panyayai et al.
COMPUTATIONAL BIOLOGY AND CHEMISTRY (2018)
In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against Fusarium Wilt in Tomato
Mohd Aamir et al.
FRONTIERS IN PHARMACOLOGY (2018)
Molecular Docking Studies on Isocytosine Analogues as Xanthine Oxidase Inhibitors
Subhajit Roy et al.
DRUG RESEARCH (2018)
Structure-based optimization of tyrosine kinase inhibitors: a molecular docking study
David Ebuka Arthur et al.
NETWORK MODELING AND ANALYSIS IN HEALTH INFORMATICS AND BIOINFORMATICS (2018)
Interaction mechanism of pepsin with a natural inhibitor gastrodin studied by spectroscopic methods and molecular docking
Jie Wang et al.
MEDICINAL CHEMISTRY RESEARCH (2017)
Effects of plant extract aurantio-obtusin on pepsin structure: Spectroscopic characterization and docking simulation
Yuanyuan Yue et al.
JOURNAL OF LUMINESCENCE (2017)
Interaction of mycotoxin zearalenone with human serum albumin
Miklos Poor et al.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY (2017)
Molecular dynamics and protein interaction studies of lipopeptide (Iturin A) on α- amylase of Spodoptera litura
P. Narendra Kumar et al.
JOURNAL OF THEORETICAL BIOLOGY (2017)
Interaction between azo dye Acid Red 14 and pepsin by multispectral methods and docking studies
Ludan Zhao et al.
LUMINESCENCE (2017)
Discriminatory analysis based molecular docking study for in silico identification of epigallocatechin-3-gallate (EGCG) derivatives as B-Raf(V600E) inhibitors
Huazhou Ying et al.
RSC ADVANCES (2017)
Comparative studies on the interaction of nitrofuran antibiotics with bovine serum albumin
Qiulan Zhang et al.
RSC ADVANCES (2017)
Dietary amino acid and vitamin complex protects honey bee from immunosuppression caused by Nosema ceranae
Uros Glavinic et al.
PLOS ONE (2017)
Binding of mycotoxins to proteins involved in neuronal plasticity: a combined in silico/wet investigation
Bernardina Scafuri et al.
SCIENTIFIC REPORTS (2017)
Probing the binding properties of dicyandiamide with pepsin by spectroscopy and docking methods
Yuanyuan Yue et al.
CHEMOSPHERE (2017)
Computational search for aflatoxin binding proteins
Ying Wang et al.
CHEMICAL PHYSICS LETTERS (2017)
Structure/functional aspects of the human riboflavin transporter-3 (SLC52A3): role of the predicted glycosylation and substrate-interacting sites
Veedamali S. Subramanian et al.
AMERICAN JOURNAL OF PHYSIOLOGY-CELL PHYSIOLOGY (2017)
Cloning, Expression, Mutagenesis Library Construction of Glycerol Dehydratase, and Binding Mode Simulation of Its Reactivase with Ligands
Wei Jiang et al.
APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY (2016)
A Review of Potential Marine-derived Hypotensive and Anti-obesity Peptides
V. Manikkam et al.
CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION (2016)
Identification of bioactive peptide from Oreochromis niloticus skin gelatin
Sadabpong Choonpicharn et al.
JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE (2016)
An integrated molecular docking and rescoring method for predicting the sensitivity spectrum of various serine hydrolases to organophosphorus pesticides
Ling-Ling Yang et al.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE (2016)
Kinetic and Thermodynamic Analyses of Interaction between a High Affinity RNA Aptamer and Its Target Protein
Ryo Amano et al.
BIOCHEMISTRY (2016)
Molecular Docking for Identification of Potential Targets for Drug Repurposing
Heng Luo et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2016)
Production and Directional Evolution of Antisarafloxacin ScFv Antibody for Immunoassay of Fluoroquinolones in Milk
Jian Ping Wang et al.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2016)
A high affinity phage-displayed peptide as a recognition probe for the detection of Salmonella Typhimurium
Shailaja Agrawal et al.
JOURNAL OF BIOTECHNOLOGY (2016)
Protein Structural Memory Influences Ligand Binding Mode(s) and Unbinding Rates
Min Xu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Mechanism of curcumin-induced trypsin inhibition: Computational and experimental studies
Yan-Qing Wang et al.
JOURNAL OF MOLECULAR STRUCTURE (2016)
3D-QSAR studies on 5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide derivatives as HIV-1 integrase inhibitors
Saloni Patel et al.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS (2016)
Computational protein-ligand docking and virtual drug screening with the AutoDock suite
Stefano Forli et al.
NATURE PROTOCOLS (2016)
Optimization of enzymatic production of anti-diabetic peptides from black bean (Phaseolus vulgaris L.) proteins, their characterization and biological potential
Luis Mojica et al.
FOOD & FUNCTION (2016)
The inhibitory kinetics and mechanism of dietary vitamins D-3 and B-2 on xanthine oxidase
Suyun Lin et al.
FOOD & FUNCTION (2016)
Docking polysaccharide to proteins that have a Tryptophan box in the binding pocket
Yian Yang et al.
CARBOHYDRATE RESEARCH (2015)
Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone
Aurelio San-Martin et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2015)
Characterisation of interaction between food colourant allura red AC and human serum albumin: Multispectroscopic analyses and docking simulations
Di Wu et al.
FOOD CHEMISTRY (2015)
Antioxidant activity and anti-proliferative effect of a bioactive peptide from chickpea (Cicer arietinum L.)
Zhaohui Xue et al.
FOOD RESEARCH INTERNATIONAL (2015)
Proteins and Their Interacting Partners: An Introduction to Protein-Ligand Binding Site Prediction Methods
Daniel Barry Roche et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2015)
DOCK 6: Impact of New Features and Current Docking Performance
William J. Allen et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)
Proteome mining for drug target identification in Listeria monocytogenes strain EGD-e and structure-based virtual screening of a candidate drug target penicillin binding protein 4
Aditya Narayan Sarangi et al.
JOURNAL OF MICROBIOLOGICAL METHODS (2015)
Improvements, trends, and new ideas in molecular docking: 2012-2013 in review
Elizabeth Yuriev et al.
JOURNAL OF MOLECULAR RECOGNITION (2015)
Molecular Docking and Structure-Based Drug Design Strategies
Leonardo G. Ferreira et al.
MOLECULES (2015)
Inhibition of Collagenase by Mycosporine-like Amino Acids from Marine Sources
Anja Hartmann et al.
PLANTA MEDICA (2015)
Interaction of Citrinin with Human Serum Albumin
Miklos Poor et al.
TOXINS (2015)
Investigate the Binding of Catechins to Trypsin Using Docking and Molecular Dynamics Simulation
Fengchao Cui et al.
PLOS ONE (2015)
Organophosphorus pesticides detection using broad-specific single-stranded DNA based fluorescence polarization aptamer assay
Cunzheng Zhang et al.
BIOSENSORS & BIOELECTRONICS (2014)
Interaction Between Umami Peptide and Taste Receptor T1R1/T1R3
Yali Dang et al.
CELL BIOCHEMISTRY AND BIOPHYSICS (2014)
Differences between amyloid-beta aggregation in solution and on the membrane: insights into elucidation of the mechanistic details of Alzheimer's disease
Samuel A. Kotler et al.
CHEMICAL SOCIETY REVIEWS (2014)
Four Flavonoid Compounds from Phyllostachys edulis Leaf Extract Retard the Digestion of Starch and Its Working Mechanisms
Jun-Peng Yang et al.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2014)
A Virtual Screening Method for Inhibitory Peptides of Angiotensin I-Converting Enzyme
Hongxi Wu et al.
JOURNAL OF FOOD SCIENCE (2014)
QSAR analyses of DDT analogues and their in silico validation using molecular docking study against voltage-gated sodium channel of Anopheles funestus
V. Saini et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2014)
Bioinformatics approaches, prospects and challenges of food bioactive peptide research
Chibuike C. Udenigwe
TRENDS IN FOOD SCIENCE & TECHNOLOGY (2014)
Molecular Docking of Laccase Protein from Bacillus Safensis DSKK5 Isolated from Earthworm gut: A Novel Method to Study dye Decolorization Potential
Deepti Singh et al.
WATER AIR AND SOIL POLLUTION (2014)
The attack of the phytopathogens and the trumpet solo: Identification of a novel plant antifungal peptide with distinct fold and disulfide bond pattern
Santi M. Mandal et al.
BIOCHIMIE (2013)
Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs
Ron O. Dror et al.
NATURE (2013)
An In Silico Analysis of the Binding Modes and Binding Affinities of Small Molecule Modulators of PDZ-Peptide Interactions
Garima Tiwari et al.
PLOS ONE (2013)
Optimizing Scoring Function of Protein-Nucleic Acid Interactions with Both Affinity and Specificity
Zhiqiang Yan et al.
PLOS ONE (2013)
Rethinking food-derived bioactive peptides for antimicrobial and immunomodulatory activities
Dominic Agyei et al.
TRENDS IN FOOD SCIENCE & TECHNOLOGY (2012)
SwissDock, a protein-small molecule docking web service based on EADock DSS
Aurelien Grosdidier et al.
NUCLEIC ACIDS RESEARCH (2011)
Food Poisoning and Staphylococcus aureus Enterotoxins
Maria Angeles Argudin et al.
TOXINS (2010)
Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy
Jason B. Cross et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility
Garrett M. Morris et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
Docking and molecular dynamics studies on the stereoselectivity in the enzymatic synthesis of carbohydrates
Natercia F. Bras et al.
THEORETICAL CHEMISTRY ACCOUNTS (2009)
Molecular docking study of the affinity of CYP2C9 and CYP2D6 for imrecoxib
Yuan Yao et al.
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY (2007)
Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
RA Friesner et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Improved protein-ligand docking using GOLD
ML Verdonk et al.
PROTEINS-STRUCTURE FUNCTION AND GENETICS (2003)
Nuclear hormone receptor targeted virtual screening
M Schapira et al.
JOURNAL OF MEDICINAL CHEMISTRY (2003)
Surflex: Fully automatic flexible molecular docking using a molecular similarity-based search engine
AN Jain
JOURNAL OF MEDICINAL CHEMISTRY (2003)
Share Paper
