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Integration of molecular docking analysis and molecular dynamics simulations for studying food proteins and bioactive peptides
A Vidal-Limon, JE Aguilar-Toalá… - Journal of agricultural …, 2022 - ACS Publications
In silico tools, such as molecular docking, are widely applied to study interactions and
binding affinity of biological activity of proteins and peptides. However, restricted sampling of …
binding affinity of biological activity of proteins and peptides. However, restricted sampling of …
Machine learning for antimicrobial peptide identification and design
Artificial intelligence (AI) and machine learning (ML) models are being deployed in many
domains of society and have recently reached the field of drug discovery. Given the …
domains of society and have recently reached the field of drug discovery. Given the …
AIPs-SnTCN: Predicting anti-inflammatory peptides using fastText and transformer encoder-based hybrid word embedding with self-normalized temporal …
Inflammation is a biologically resistant response to harmful stimuli, such as infection,
damaged cells, toxic chemicals, or tissue injuries. Its purpose is to eradicate pathogenic …
damaged cells, toxic chemicals, or tissue injuries. Its purpose is to eradicate pathogenic …
Machine intelligence in peptide therapeutics: A next‐generation tool for rapid disease screening
S Basith, B Manavalan, T Hwan Shin… - Medicinal research …, 2020 - Wiley Online Library
Discovery and development of biopeptides are time‐consuming, laborious, and dependent
on various factors. Data‐driven computational methods, especially machine learning (ML) …
on various factors. Data‐driven computational methods, especially machine learning (ML) …
Machine learning-driven multifunctional peptide engineering for sustained ocular drug delivery
Sustained drug delivery strategies have many potential benefits for treating a range of
diseases, particularly chronic diseases that require treatment for years. For many chronic …
diseases, particularly chronic diseases that require treatment for years. For many chronic …
Peptides and protein hydrolysates exhibiting anti-inflammatory activity: Sources, structural features and modulation mechanisms
J Rivera-Jiménez, C Berraquero-García… - Food & Function, 2022 - pubs.rsc.org
Inflammation is the response of the immune system to harmful stimuli such as tissue injury,
infection or toxic chemicals, which has the aim of eliminating irritants or pathogenic …
infection or toxic chemicals, which has the aim of eliminating irritants or pathogenic …
Review and perspective on bioactive peptides: A roadmap for research, development, and future opportunities
Bioactive peptides (BPs) possess a broad spectrum of beneficial effects, such as antioxidant,
antihypertensive, antidiabetic, anticancer, anti-inflammatory, antimicrobial, and anti-aging …
antihypertensive, antidiabetic, anticancer, anti-inflammatory, antimicrobial, and anti-aging …
Meta-4mCpred: a sequence-based meta-predictor for accurate DNA 4mC site prediction using effective feature representation
DNA N4-methylcytosine (4mC) is an important genetic modification and plays crucial roles in
differentiation between self and non-self DNA and in controlling DNA replication, cell cycle …
differentiation between self and non-self DNA and in controlling DNA replication, cell cycle …
Strengths and limitations of in silico tools to assess physicochemical properties, bioactivity, and bioavailability of food-derived peptides
F Rivero-Pino, MC Millan-Linares… - Trends in Food Science …, 2023 - Elsevier
Background Bioactive peptides obtained from different food sources have been proved to
exert several bioactivities, such as antioxidant, antihypertensive, antimicrobial, or anti …
exert several bioactivities, such as antioxidant, antihypertensive, antimicrobial, or anti …
Advances in machine learning screening of food bioactive compounds
Y Zhang, X Bao, Y Zhu, Z Dai, Q Shen, Y Xue - Trends in Food Science & …, 2024 - Elsevier
Background Food contains abundant bioactive compounds that play a crucial role in human
health. However, conventional methods for screening food bioactive compounds (FBCs) are …
health. However, conventional methods for screening food bioactive compounds (FBCs) are …