AIMC Topic: Proteins

Clear Filters Showing 71 to 80 of 1967 articles

Leveraging Transfer Learning for Predicting Protein-Small-Molecule Interaction Predictions.

Journal of chemical information and modeling Mar 24, 2025
A complex web of intermolecular interactions defines and regulates biological processes. Understanding this web has been particularly challenging because of the sheer number of actors in biological systems: ∼10 proteins in a typical human cell offer ...
Protein Binding Neural Networks, Computer Proteins Machine Learning Ligands Humans Small Molecule Libraries
View on PubMed DOI

Deep-ProBind: binding protein prediction with transformer-based deep learning model.

BMC bioinformatics Mar 22, 2025
Binding proteins play a crucial role in biological systems by selectively interacting with specific molecules, such as DNA, RNA, or peptides, to regulate various cellular processes. Their ability to recognize and bind target molecules with high speci...
Sequence Analysis, Protein Deep Learning Protein Binding Databases, Protein Neural Networks, Computer Binding Sites Computational Biology Algorithms Proteins
View on PubMed DOI

Current experimental, statistical, and mechanistic approaches to optimizing biomolecule separations in aqueous two-phase systems.

Journal of chromatography. A Mar 17, 2025
Aqueous two-phase systems (ATPS) have been used to purify a range of biomolecules, including small molecules, monoclonal antibodies, viruses, and whole cells. They are known for selective separations, creating a stabilizing, low-shear environment, an...
Water Models, Chemical Models, Statistical Thermodynamics Proteins
View on PubMed DOI

A critical address to advancements and challenges in computational strategies for structural prediction of protein in recent past.

Computational biology and chemistry Mar 16, 2025
Protein structure prediction has undergone significant advancements, driven by the limitations of experimental techniques like X-ray crystallography, NMR, and cryo-EM, which are costly and time-consuming. To bridge the gap between protein sequences a...
Humans Deep Learning Models, Molecular Protein Conformation Computational Biology Proteins
View on PubMed DOI

Automation of protein crystallization scaleup via Opentrons-2 liquid handling.

SLAS technology Mar 16, 2025
In this study we present an approach for optimizing protein crystallization trials at the multi-microliter scale utilizing the Opentrons-2 liquid handling robot. Our research demonstrates the robot's capability to automate 24-well sitting drop protei...
Proteins Robotics Automation, Laboratory Muramidase Crystallization Campylobacter jejuni
View on PubMed DOI

AmIActive (AIA): A Large-scale QSAR Based Target Fishing and Polypharmacology Predictive Web Tool.

Journal of molecular biology Mar 13, 2025
Here, we introduce AmIActive (AIA), a QSAR-based web tool for biological activity prediction and target fishing. The AIA system uses QSAR models trained with biological activity data from the ChEMBL database and currently covers single proteins, prot...
Quantitative Structure-Activity Relationship Polypharmacology Humans Software Proteins Internet
View on PubMed DOI

DeepMVD: A Novel Multiview Dynamic Feature Fusion Model for Accurate Protein Function Prediction.

Journal of chemical information and modeling Mar 7, 2025
Proteins, as the fundamental macromolecules of life, play critical roles in various biological processes. Recent advancements in intelligent protein function prediction methods leverage sequences, structures, and biomedical literature data. Among the...
Databases, Protein Computational Biology Proteins Deep Learning
View on PubMed DOI

Multimodal Drug Target Binding Affinity Prediction Using Graph Local Substructure.

IEEE journal of biomedical and health informatics Mar 6, 2025
Predicting the binding affinity of drug target is essential to reduce drug development costs and cycles. Recently, several deep learning-based methods have been proposed to utilize the structural or sequential information of drugs and targets to pred...
Humans Pharmaceutical Preparations Computational Biology Algorithms Drug Discovery Proteins Deep Learning Protein Binding
View on PubMed DOI

BINDTI: A Bi-Directional Intention Network for Drug-Target Interaction Identification Based on Attention Mechanisms.

IEEE journal of biomedical and health informatics Mar 6, 2025
The identification of drug-target interactions (DTIs) is an essential step in drug discovery. In vitro experimental methods are expensive, laborious, and time-consuming. Deep learning has witnessed promising progress in DTI prediction. However, how t...
Computational Biology Proteins Deep Learning Humans Neural Networks, Computer Drug Discovery
View on PubMed DOI

Dual Representation Learning for Predicting Drug-Side Effect Frequency Using Protein Target Information.

IEEE journal of biomedical and health informatics Mar 6, 2025
Knowledge of unintended effects of drugs is critical in assessing the risk of treatment and in drug repurposing. Although numerous existing studies predict drug-side effect presence, only four of them predict the frequency of the side effects. Unfort...
Drug-Related Side Effects and Adverse Reactions Humans Deep Learning Computational Biology Proteins
View on PubMed DOI
Popular Topics
Recent Journals