AI Medical Compendium Topic:
Protein Binding

Clear Filters Showing 531 to 540 of 813 articles

Deep Neural Network Based Predictions of Protein Interactions Using Primary Sequences.

Molecules (Basel, Switzerland) Aug 1, 2018
Machine learning based predictions of protein⁻protein interactions (PPIs) could provide valuable insights into protein functions, disease occurrence, and therapy design on a large scale. The intensive feature engineering in most of these methods make...
Animals Protein Binding Amino Acid Sequence Protein Interaction Mapping Humans Neural Networks, Computer
View on PubMed DOI

Insight Analysis of Promiscuous Estrogen Receptor α-Ligand Binding by a Novel Machine Learning Scheme.

Chemical research in toxicology Jul 30, 2018
Estrogen receptor α (ERα) plays a significant role in occurrence of breast cancer and may cause various adverse side-effects when ERα is an off-target protein. A theoretical model was derived to predict the binding affinity of ERα using the pharmacop...
Humans Machine Learning Computer Simulation Reproducibility of Results Ligands Quantitative Structure-Activity Relationship Crystallography, X-Ray Protein Conformation Protein Binding Support Vector Machine Models, Molecular Estrogen Receptor alpha
View on PubMed DOI

Machine learning approaches infer vitamin D signaling: Critical impact of vitamin D receptor binding within topologically associated domains.

The Journal of steroid biochemistry and molecular biology Jul 22, 2018
The vitamin D-modulated transcriptome of highly responsive human cells, such as THP-1 monocytes, comprises more than 500 genes, half of which are primary targets. Recently, we proposed a chromatin model of vitamin D signaling demonstrating that nearl...
Gene Expression Regulation Chromatin CCCTC-Binding Factor RNA, Messenger Signal Transduction Vitamin D THP-1 Cells High-Throughput Nucleotide Sequencing Receptors, Calcitriol Machine Learning Cell Line Algorithms Protein Binding Humans
View on PubMed DOI

Convolutional neural network scoring and minimization in the D3R 2017 community challenge.

Journal of computer-aided molecular design Jul 10, 2018
We assess the ability of our convolutional neural network (CNN)-based scoring functions to perform several common tasks in the domain of drug discovery. These include correctly identifying ligand poses near and far from the true binding mode when giv...
Structure-Activity Relationship Molecular Docking Simulation Ligands Drug Discovery Protein Conformation Binding Sites Neural Networks, Computer Protein Binding Cathepsins Algorithms Databases, Protein
View on PubMed DOI

Prediction of RNA-protein sequence and structure binding preferences using deep convolutional and recurrent neural networks.

BMC genomics Jul 3, 2018
BACKGROUND: RNA regulation is significantly dependent on its binding protein partner, known as the RNA-binding proteins (RBPs). Unfortunately, the binding preferences for most RBPs are still not well characterized. Interdependencies between sequence ...
RNA-Binding Proteins RNA Nucleic Acid Conformation Binding Sites User-Computer Interface Protein Binding Computational Biology Nucleotide Motifs Neural Networks, Computer Algorithms
View on PubMed DOI

A Data Driven Model for Predicting RNA-Protein Interactions based on Gradient Boosting Machine.

Scientific reports Jun 22, 2018
RNA protein interactions (RPI) play a pivotal role in the regulation of various biological processes. Experimental validation of RPI has been time-consuming, paving the way for computational prediction methods. The major limiting factor of these meth...
Computational Biology RNA-Binding Proteins Amino Acid Sequence RNA Machine Learning Protein Binding
View on PubMed DOI

Computational design of thermostabilizing point mutations for G protein-coupled receptors.

eLife Jun 21, 2018
Engineering of GPCR constructs with improved thermostability is a key for successful structural and biochemical studies of this transmembrane protein family, targeted by 40% of all therapeutic drugs. Here we introduce a comprehensive computational ap...
Kinetics Amino Acid Sequence Protein Stability Binding Sites Protein Engineering Receptor, Serotonin, 5-HT2C Crystallography, X-Ray Protein Binding Models, Molecular Gene Expression Humans Machine Learning Animals Serotonin 5-HT2 Receptor Agonists Serotonin 5-HT2 Receptor Antagonists Protein Interaction Domains and Motifs Thermodynamics Protein Conformation, beta-Strand Protein Conformation, alpha-Helical Sequence Alignment Point Mutation Sequence Homology, Amino Acid
View on PubMed DOI

Visualizing convolutional neural network protein-ligand scoring.

Journal of molecular graphics & modelling Jun 18, 2018
Protein-ligand scoring is an important step in a structure-based drug design pipeline. Selecting a correct binding pose and predicting the binding affinity of a protein-ligand complex enables effective virtual screening. Machine learning techniques c...
Protein Binding Proteins Neural Networks, Computer Algorithms Models, Molecular Molecular Conformation Deep Learning Ligands ROC Curve
View on PubMed DOI

Development of a machine-learning model to predict Gibbs free energy of binding for protein-ligand complexes.

Biophysical chemistry Jun 7, 2018
The possibility of using the atomic coordinates of protein-ligand complexes to assess binding affinity has a beneficial impact in the early stages of drug development and design. From the computational view, the creation of reliable scoring functions...
Ligands Thermodynamics Machine Learning Proteins Databases, Protein Molecular Docking Simulation Protein Binding
View on PubMed DOI

Agonists of G-Protein-Coupled Odorant Receptors Are Predicted from Chemical Features.

The journal of physical chemistry letters Apr 17, 2018
Predicting the activity of chemicals for a given odorant receptor is a longstanding challenge. Here the activity of 258 chemicals on the human G-protein-coupled odorant receptor (OR)51E1, also known as prostate-specific G-protein-coupled receptor 2 (...
Neoplasm Proteins Protein Binding Models, Molecular Drug Evaluation, Preclinical Mice Humans Fatty Acids Receptors, Odorant Receptors, G-Protein-Coupled Machine Learning Ligands Animals
View on PubMed DOI
Popular Topics
Recent Journals