Artichoke pectic oligosaccharide characterisation and virtual screening of prebiotic properties using in silico colonic fermentation

Generation of structurally diverse pectin oligosaccharides having prebiotic attributes

(2020) Ravindra Pal Singh et al.   FOOD HYDROCOLLOIDS

Molecular docking and molecular dynamics simulations studies on β-glucosidase and xylanase Trichoderma asperellum to predict degradation order of cellulosic components in oil palm leaves for nanocellulose preparation

(2020) Aina Hazimah Bahaman et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

β-glucosidase from Hevea brasiliensis seeds: Purification, homology modeling, and insights into the substrate-binding model

(2020) Jiaqian Xu et al.   JOURNAL OF FOOD BIOCHEMISTRY

In silico molecular modelling, structural dynamics simulation and characterization of antifungal nature of β-glucosidase enzyme from Sechium edule

(2020) Neeta Pathaw et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Scalable molecular dynamics on CPU and GPU architectures with NAMD

(2020) James C. Phillips et al.   JOURNAL OF CHEMICAL PHYSICS

Carbohydrate fraction characterisation of functional yogurts containing pectin and pectic oligosaccharides through convolutional networks

(2020) Carlos Sabater et al.   JOURNAL OF FOOD COMPOSITION AND ANALYSIS

Optimisation of an enzymatic method to obtain modified artichoke pectin and pectic oligosaccharides using artificial neural network tools. In silico and in vitro assessment of the antioxidant activity

(2020) Carlos Sabater et al.   FOOD HYDROCOLLOIDS

Dietary natural products as emerging lipoprotein(a)-lowering agents

(2019) Amir Abbas Momtazi-Borojeni et al.   JOURNAL OF CELLULAR PHYSIOLOGY

Interaction study of dietary fibers (pectin and cellulose) with meat proteins using bioinformatics analysis: An In-Silico study

(2019) Syed Sayeed Ahmad et al.   LWT-FOOD SCIENCE AND TECHNOLOGY

Ultrasound-assisted extraction of pectin from artichoke by-products. An artificial neural network approach to pectin characterisation

(2019) Carlos Sabater et al.   FOOD HYDROCOLLOIDS

A key residue for the substrate affinity enhancement of a thermophilic endo-polygalacturonase revealed by computational design

(2018) Tao Tu et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

In silico clinical trials: concepts and early adoptions

(2018) Francesco Pappalardo et al.   BRIEFINGS IN BIOINFORMATICS

In vitro fermentation properties of pectins and enzymatic-modified pectins obtained from different renewable bioresources

(2018) Alvaro Ferreira-Lazarte et al.   CARBOHYDRATE POLYMERS

Enzymatic extraction of pectin from artichoke ( Cynara scolymus L. ) by-products using Celluclast ® 1.5L

(2018) Carlos Sabater et al.   CARBOHYDRATE POLYMERS

Enhancement of glycosylation by stable co-expression of two sialylation-related enzymes on Chinese hamster ovary cells

(2018) Nguyen Thi Sam et al.   JOURNAL OF BIOSCIENCE AND BIOENGINEERING

CASTp 3.0: computed atlas of surface topography of proteins

(2018) Wei Tian et al.   NUCLEIC ACIDS RESEARCH

SWISS-MODEL: homology modelling of protein structures and complexes

(2018) Andrew Waterhouse et al.   NUCLEIC ACIDS RESEARCH

Microbial accessible pectic poly and oligosaccharides in gut health

(2018) Jagan Mohan Rao Tingrikari   Food & Function

GutLogo: Agent-based modeling framework to investigate spatial and temporal dynamics in the gut microbiome

(2018) Charlie Lin et al.   PLoS One

Draft genome analysis of lignocellulolytic enzymes producing Aspergillus terreus with structural insight of β-glucosidases through molecular docking approach

(2018) Tripti Dadheech et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

GC–MS characterisation of novel artichoke (Cynara scolymus) pectic-oligosaccharides mixtures by the application of machine learning algorithms and competitive fragmentation modelling

(2018) Carlos Sabater et al.   CARBOHYDRATE POLYMERS

Expert consensus document: The International Scientific Association for Probiotics and Prebiotics (ISAPP) consensus statement on the definition and scope of prebiotics

(2017) Glenn R. Gibson et al.   Nature Reviews Gastroenterology & Hepatology

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching

(2017) Egon L. Willighagen et al.   Journal of Cheminformatics

Replica exchange molecular dynamics simulations reveal the structural and molecular properties of levan-type fructo-oligosaccharides of various chain lengths

(2016) Pongsakorn Kanjanatanin et al.   BMC BIOINFORMATICS

Comparison between developed models using response surface methodology (RSM) and artificial neural networks (ANNs) with the purpose to optimize oligosaccharide mixtures production from sugar beet pulp

(2016) Gonzalo Astray et al.   INDUSTRIAL CROPS AND PRODUCTS

Pectic oligosaccharides hydrolyzed from orange peel by fungal multi-enzyme complexes and their prebiotic and antibacterial potentials

(2016) Pei-jun Li et al.   LWT-FOOD SCIENCE AND TECHNOLOGY

Prebiotic potential of pectins and pectic oligosaccharides derived from lemon peel wastes and sugar beet pulp: A comparative evaluation

(2016) Belén Gómez et al.   Journal of Functional Foods

Molecular insights into cold active polygalacturonase enzyme for its potential application in food processing

(2014) L. N. Ramya et al.   JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE

Evolving Views of Pectin Biosynthesis

(2013) Melani A. Atmodjo et al.   Annual Review of Plant Biology

Substrate Dynamics in Enzyme Action: Rotations of Monosaccharide Subunits in the Binding Groove are Essential for Pectin Methylesterase Processivity

(2013) Davide Mercadante et al.   BIOPHYSICAL JOURNAL

Calculation of substrate binding affinities for a bacterial GH78 rhamnosidase through molecular dynamics simulations

(2013) Melanie Grandits et al.   JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC

The abundance and variety of carbohydrate-active enzymes in the human gut microbiota

(2013) Abdessamad El Kaoutari et al.   NATURE REVIEWS MICROBIOLOGY

Conformational Analysis of Furanoside-Containing Mono- and Oligosaccharides

(2012) Hashem A. Taha et al.   CHEMICAL REVIEWS

Gas chromatographic–mass spectrometric analysis of galactosyl derivatives obtained by the action of two different β-galactosidases

(2008) A. Cardelle-Cobas et al.   FOOD CHEMISTRY