AI Medical Compendium Journal:
International journal of molecular sciences

Showing 131 to 140 of 423 articles

Prediction of Paratope-Epitope Pairs Using Convolutional Neural Networks.

International journal of molecular sciences May 16, 2024
Antibodies play a central role in the adaptive immune response of vertebrates through the specific recognition of exogenous or endogenous antigens. The rational design of antibodies has a wide range of biotechnological and medical applications, such ...
Antigens Antigen-Antibody Complex Binding Sites, Antibody Molecular Docking Simulation Antibodies Epitopes Neural Networks, Computer Machine Learning Humans
View on PubMed DOI

Deciphering the Genetic Links between Psychological Stress, Autophagy, and Dermatological Health: Insights from Bioinformatics, Single-Cell Analysis, and Machine Learning in Psoriasis and Anxiety Disorders.

International journal of molecular sciences May 15, 2024
The relationship between psychological stress, altered skin immunity, and autophagy-related genes (ATGs) is currently unclear. Psoriasis is a chronic skin inflammation of unclear etiology that is characterized by persistence and recurrence. Immune dy...
Single-Cell Analysis Gene Regulatory Networks Computational Biology Gene Expression Profiling Stress, Psychological Psoriasis Autophagy Skin Humans Machine Learning Anxiety Disorders
View on PubMed DOI

Machine Learning Approach to Metabolomic Data Predicts Type 2 Diabetes Mellitus Incidence.

International journal of molecular sciences May 14, 2024
Metabolomics, with its wealth of data, offers a valuable avenue for enhancing predictions and decision-making in diabetes. This observational study aimed to leverage machine learning (ML) algorithms to predict the 4-year risk of developing type 2 dia...
Humans Machine Learning Biomarkers Diabetes Mellitus, Type 2 Support Vector Machine Metabolomics Male Female Middle Aged Aged Incidence
View on PubMed DOI

Prediction of Drug-Target Affinity Using Attention Neural Network.

International journal of molecular sciences May 8, 2024
Studying drug-target interactions (DTIs) is the foundational and crucial phase in drug discovery. Biochemical experiments, while being the most reliable method for determining drug-target affinity (DTA), are time-consuming and costly, making it chall...
Drug Discovery Humans Deep Learning Neural Networks, Computer Pharmaceutical Preparations Algorithms
View on PubMed DOI

Predicting Transcription Factor Binding Sites with Deep Learning.

International journal of molecular sciences May 3, 2024
Prediction of binding sites for transcription factors is important to understand how the latter regulate gene expression and how this regulation can be modulated for therapeutic purposes. A consistent number of references address this issue with diff...
Humans Deep Learning HeLa Cells Protein Binding Binding Sites Computational Biology Chromatin Immunoprecipitation Sequencing Transcription Factors Cell Line
View on PubMed DOI

Exploring Antiviral Drugs on Monolayer Black Phosphorene: Atomistic Theory and Explainable Machine Learning-Assisted Platform.

International journal of molecular sciences Apr 30, 2024
Favipiravir (FP) and ebselen (EB) belong to a diverse class of antiviral drugs known for their significant efficacy in treating various viral infections. Utilizing molecular dynamics (MD) simulations, machine learning, and van der Waals density funct...
Isoindoles Density Functional Theory Machine Learning Organoselenium Compounds Azoles Antiviral Agents Thermodynamics Molecular Dynamics Simulation
View on PubMed DOI

DeepSub: Utilizing Deep Learning for Predicting the Number of Subunits in Homo-Oligomeric Protein Complexes.

International journal of molecular sciences Apr 28, 2024
The molecular weight (MW) of an enzyme is a critical parameter in enzyme-constrained models (ecModels). It is determined by two factors: the presence of subunits and the abundance of each subunit. Although the number of subunits (NS) can potentially ...
Databases, Protein Protein Multimerization Humans Protein Subunits Mice Animals Computational Biology Deep Learning
View on PubMed DOI

Sorption Behavior of Azo Dye Congo Red onto Activated Biochar from Waste: Gradient Boosting Machine Learning-Assisted Bayesian Optimization for Improved Adsorption Process.

International journal of molecular sciences Apr 27, 2024
This work aimed to describe the adsorption behavior of Congo red (CR) onto activated biochar material prepared from waste (). The carbon precursor was soaked with phosphoric acid, followed by pyrolysis to convert the precursor into activated biochar...
Adsorption Bayes Theorem Congo Red Charcoal Machine Learning Kinetics Spectroscopy, Fourier Transform Infrared Water Pollutants, Chemical Hydrogen-Ion Concentration
View on PubMed DOI

An Explainable Deep Learning Classifier of Bovine Mastitis Based on Whole-Genome Sequence Data-Circumventing the p >> n Problem.

International journal of molecular sciences Apr 26, 2024
The serious drawback underlying the biological annotation of whole-genome sequence data is the p >> n problem, which means that the number of polymorphic variants (p) is much larger than the number of available phenotypic records (n). We propose a wa...
Deep Learning Cattle Genetic Predisposition to Disease Polymorphism, Single Nucleotide Genotype Whole Genome Sequencing Female Animals Mastitis, Bovine
View on PubMed DOI

Co-Mutations and Possible Variation Tendency of the Spike RBD and Membrane Protein in SARS-CoV-2 by Machine Learning.

International journal of molecular sciences Apr 25, 2024
Since the onset of the coronavirus disease 2019 (COVID-19) pandemic, SARS-CoV-2 variants capable of breakthrough infections have attracted global attention. These variants have significant mutations in the receptor-binding domain (RBD) of the spike p...
Spike Glycoprotein, Coronavirus Mutation Protein Domains Amino Acid Sequence Coronavirus M Proteins COVID-19 SARS-CoV-2 Protein Binding Humans Machine Learning
View on PubMed DOI
Popular Topics
Popular Journals