Journal of molecular graphics & modelling
31344547
Membrane proteins, the most important drug targets, account for around 30% of total proteins encoded by the genome of living organisms. An important role of these proteins is to bind adenosine triphosphate (ATP), facilitating crucial biological proce...
Journal of cardiovascular magnetic resonance : official journal of the Society for Cardiovascular Magnetic Resonance
31401975
BACKGROUND: The heart's energy demand per gram of tissue is the body's highest and creatine kinase (CK) metabolism, its primary energy reserve, is compromised in common heart diseases. Here, neural-network analysis is used to test whether noninvasive...
Accurate identification of ligand-binding sites and discovering the protein-ligand interaction mechanism are important for understanding proteins' functions and designing new drugs. Meanwhile, accurate computational prediction and mechanism research ...
Journal of the American Heart Association
31617439
Background Small molecule kinase inhibitors (KIs) are a class of agents currently used for treatment of various cancers. Unfortunately, treatment of cancer patients with some of the KIs is associated with cardiotoxicity, and there is an unmet need fo...
High-throughput screening and gene signature analyses frequently identify lead therapeutic compounds with unknown modes of action (MoAs), and the resulting uncertainties can lead to the failure of clinical trials. We developed an approach for uncover...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
32146425
Simultaneous detection of biomarkers and biomolecules with great analytical performance still is challenging. A simple fluorometric dual-functional aptasensor was designed to detect Lysozyme (LYS) and adenosine triphosphate (ATP) as models of a prote...
Identification of novel protein binding sites expands druggable genome and opens new opportunities for drug discovery. Generally, presence or absence of a binding site depends on the three-dimensional conformation of a protein, making binding site id...
International journal of molecular sciences
33477866
Accurately identifying protein-ATP binding residues is important for protein function annotation and drug design. Previous studies have used classic machine-learning algorithms like support vector machine (SVM) and random forest to predict protein-AT...
Knowledge of protein-ATP interaction can help for protein functional annotation and drug discovery. Accurately identifying protein-ATP binding residues is an important but challenging task to gain the knowledge of protein-ATP interactions, especially...
IEEE transactions on neural networks and learning systems
34357867
Sentiment classification is a form of data analytics where people's feelings and attitudes toward a topic are mined from data. This tantalizing power to "predict the zeitgeist" means that sentiment classification has long attracted interest, but with...