AIMC Topic: Proteins

Clear Filters Showing 141 to 150 of 1967 articles

PTSP-BERT: Predict the thermal stability of proteins using sequence-based bidirectional representations from transformer-embedded features.

Computers in biology and medicine Dec 20, 2024
Thermophilic proteins, mesophiles proteins and psychrophilic proteins have wide industrial applications, as enzymes with different optimal temperatures are often needed for different purposes. Convenient methods are needed to determine the optimal te...
Databases, Protein Protein Stability Deep Learning Proteins
View on PubMed DOI

A combined NMR and deep neural network approach for enhancing the spectral resolution of aromatic side chains in proteins.

Science advances Dec 20, 2024
Nuclear magnetic resonance (NMR) spectroscopy is an important technique for deriving the dynamics and interactions of macromolecules; however, characterizations of aromatic residues in proteins still pose a challenge. Here, we present a deep neural n...
Magnetic Resonance Spectroscopy Proteins Nuclear Magnetic Resonance, Biomolecular Neural Networks, Computer
View on PubMed DOI

AlphaMut: A Deep Reinforcement Learning Model to Suggest Helix-Disrupting Mutations.

Journal of chemical theory and computation Dec 19, 2024
Helices are important secondary structural motifs within proteins and are pivotal in numerous physiological processes. While amino acids (AA) such as alanine and leucine are known to promote helix formation, proline and glycine disfavor it. Helical s...
Mutation Thermodynamics Protein Structure, Secondary Reinforcement Machine Learning Proteins Deep Learning Models, Molecular
View on PubMed DOI

ProtChat: An AI Multi-Agent for Automated Protein Analysis Leveraging GPT-4 and Protein Language Model.

Journal of chemical information and modeling Dec 17, 2024
Large language models (LLMs) have transformed natural language processing, enabling advanced human-machine communication. Similarly, in computational biology, protein sequences are interpreted as natural language, facilitating the creation of protein...
Computational Biology Proteins Humans Artificial Intelligence Natural Language Processing Automation
View on PubMed DOI

S-PLM: Structure-Aware Protein Language Model via Contrastive Learning Between Sequence and Structure.

Advanced science (Weinheim, Baden-Wurttemberg, Germany) Dec 12, 2024
Proteins play an essential role in various biological and engineering processes. Large protein language models (PLMs) present excellent potential to reshape protein research by accelerating the determination of protein functions and the design of pro...
Computational Biology Proteins Machine Learning Protein Conformation
View on PubMed DOI

Improving binding affinity prediction by emphasizing local features of drug and protein.

Computational biology and chemistry Dec 11, 2024
Binding affinity prediction has been considered as a fundamental task in drug discovery. Despite much effort to improve accuracy of binding affinity prediction, the prior work considered only macro-level features that can represent the characteristic...
Drug Discovery Deep Learning Pharmaceutical Preparations Protein Binding Proteins
View on PubMed DOI

PICNIC accurately predicts condensate-forming proteins regardless of their structural disorder across organisms.

Nature communications Dec 11, 2024
Biomolecular condensates are membraneless organelles that can concentrate hundreds of different proteins in cells to operate essential biological functions. However, accurate identification of their components remains challenging and biased towards p...
Animals Amino Acid Sequence Humans Computational Biology Intrinsically Disordered Proteins Machine Learning Proteome Biomolecular Condensates Algorithms Proteins
View on PubMed DOI

An End-to-End Knowledge Graph Fused Graph Neural Network for Accurate Protein-Protein Interactions Prediction.

IEEE/ACM transactions on computational biology and bioinformatics Dec 10, 2024
Protein-protein interactions (PPIs) are essential to understanding cellular mechanisms, signaling networks, disease processes, and drug development, as they represent the physical contacts and functional associations between proteins. Recent advances...
Graph Neural Networks Computational Biology Algorithms Proteins Databases, Protein Humans Protein Interaction Maps Protein Interaction Mapping Neural Networks, Computer
View on PubMed DOI

A Protein-Context Enhanced Master Slave Framework for Zero-Shot Drug Target Interaction Prediction.

IEEE/ACM transactions on computational biology and bioinformatics Dec 10, 2024
Drug Target Interaction (DTI) prediction plays a crucial role in in-silico drug discovery, especially for deep learning (DL) models. Along this line, existing methods usually first extract features from drugs and target proteins, and use drug-target ...
Ligands Algorithms Drug Discovery Proteins Deep Learning Humans Computational Biology Databases, Protein
View on PubMed DOI

MMD-DTA: A Multi-Modal Deep Learning Framework for Drug-Target Binding Affinity and Binding Region Prediction.

IEEE/ACM transactions on computational biology and bioinformatics Dec 10, 2024
The prediction of drug-target affinity (DTA) plays a crucial role in drug development and the identification of potential drug targets. In recent years, computer-assisted DTA prediction has emerged as a significant approach in this field. In this stu...
Deep Learning Protein Binding Computational Biology Proteins Neural Networks, Computer Drug Discovery Humans Pharmaceutical Preparations Binding Sites
View on PubMed DOI
Popular Topics
Recent Journals