AIMC Topic: Amino Acids

Clear Filters Showing 21 to 30 of 229 articles

Amino acid metabolomics and machine learning-driven assessment of future liver remnant growth after hepatectomy in livers of various backgrounds.

Journal of pharmaceutical and biomedical analysis Jul 23, 2024
Accurate assessment of future liver remnant growth after partial hepatectomy (PH) in patients with different liver backgrounds is a pressing clinical issue. Amino acid (AA) metabolism plays a crucial role in liver regeneration. In this study, we comb...
Amino Acids Non-alcoholic Fatty Liver Disease Chromatography, High Pressure Liquid Metabolomics Liver Tandem Mass Spectrometry Hepatectomy Liver Regeneration Animals Male Mice Liver Cirrhosis Disease Models, Animal Mice, Inbred C57BL Machine Learning
View on PubMed DOI

PMTPred: machine-learning-based prediction of protein methyltransferases using the composition of k-spaced amino acid pairs.

Molecular diversity Jul 21, 2024
Protein methyltransferases (PMTs) are a group of enzymes that help catalyze the transfer of a methyl group to its substrates. These enzymes play an important role in epigenetic regulation and can methylate various substrates with DNA, RNA, protein, a...
Machine Learning Algorithms Computational Biology Methyltransferases Support Vector Machine Amino Acids
View on PubMed DOI

Discovery of urinary biosignatures for tuberculosis and nontuberculous mycobacteria classification using metabolomics and machine learning.

Scientific reports Jul 3, 2024
Nontuberculous mycobacteria (NTM) infection diagnosis remains a challenge due to its overlapping clinical symptoms with tuberculosis (TB), leading to inappropriate treatment. Herein, we employed noninvasive metabolic phenotyping coupled with comprehe...
Metabolome Diagnosis, Differential Area Under Curve Metabolomics Models, Statistical Liquid Chromatography-Mass Spectrometry Mycobacterium Infections, Nontuberculous Down-Regulation Up-Regulation Amino Acids Random Forest Phenotype Tuberculosis Humans Biomarkers Machine Learning Male Aged Middle Aged ROC Curve
View on PubMed DOI

Enhancing Machine-Learning Prediction of Enzyme Catalytic Temperature Optima through Amino Acid Conservation Analysis.

International journal of molecular sciences Jun 6, 2024
Enzymes play a crucial role in various industrial production and pharmaceutical developments, serving as catalysts for numerous biochemical reactions. Determining the optimal catalytic temperature () of enzymes is crucial for optimizing reaction cond...
Machine Learning Enzyme Stability Conserved Sequence Catalysis Phosphoric Monoester Hydrolases Amino Acids Algorithms Amino Acid Sequence Temperature
View on PubMed DOI

Raman Spectra of Amino Acids and Peptides from Machine Learning Polarizabilities.

Journal of chemical information and modeling Jun 3, 2024
Raman spectroscopy is an important tool in the study of vibrational properties and composition of molecules, peptides, and even proteins. Raman spectra can be simulated based on the change of the electronic polarizability with vibrations, which can n...
Amino Acids Molecular Dynamics Simulation Spectrum Analysis, Raman Density Functional Theory Neural Networks, Computer Machine Learning Peptides
View on PubMed DOI

Predicting Antimicrobial Peptides Using ESMFold-Predicted Structures and ESM-2-Based Amino Acid Features with Graph Deep Learning.

Journal of chemical information and modeling May 13, 2024
Currently, antimicrobial resistance constitutes a serious threat to human health. Drugs based on antimicrobial peptides (AMPs) constitute one of the alternatives to address it. Shallow and deep learning (DL)-based models have mainly been built from a...
Models, Molecular Amino Acids Amino Acid Sequence Protein Conformation Antimicrobial Peptides Deep Learning
View on PubMed DOI

Generalized biomolecular modeling and design with RoseTTAFold All-Atom.

Science (New York, N.Y.) Apr 19, 2024
Deep-learning methods have revolutionized protein structure prediction and design but are presently limited to protein-only systems. We describe RoseTTAFold All-Atom (RFAA), which combines a residue-based representation of amino acids and DNA bases w...
Protein Engineering Crystallography Models, Molecular Amino Acids Deep Learning Proteins DNA
View on PubMed DOI

Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning.

Journal of chemical information and modeling Apr 16, 2024
Adsorption free energies of 32 small biomolecules (amino acids side chains, fragments of lipids, and sugar molecules) on 33 different nanomaterials, computed by the molecular dynamics - metadynamics methodology, have been analyzed using statistical m...
Algorithms Adsorption Amino Acids Neural Networks, Computer Molecular Dynamics Simulation Machine Learning Nanostructures Thermodynamics
View on PubMed DOI

xCAPT5: protein-protein interaction prediction using deep and wide multi-kernel pooling convolutional neural networks with protein language model.

BMC bioinformatics Mar 10, 2024
BACKGROUND: Predicting protein-protein interactions (PPIs) from sequence data is a key challenge in computational biology. While various computational methods have been proposed, the utilization of sequence embeddings from protein language models, wh...
Proteins Neural Networks, Computer Algorithms Amino Acids Amino Acid Sequence
View on PubMed DOI

HormoNet: a deep learning approach for hormone-drug interaction prediction.

BMC bioinformatics Feb 28, 2024
Several experimental evidences have shown that the human endogenous hormones can interact with drugs in many ways and affect drug efficacy. The hormone drug interactions (HDI) are essential for drug treatment and precision medicine; therefore, it is ...
Drug Interactions Proteins Amino Acids Humans Hormones Deep Learning
View on PubMed DOI
Popular Topics
Recent Journals