Results 71 to 80 of about 5,508,972 (143)
BMC BioinformaticsEfficient prediction of drug-target affinity (DTA) is crucial for accelerating drug discovery. Recently, deep learning approaches leveraging 3D complexes have shown strong potential for drug-target affinity prediction.
Guoqiang Zhou +8 more
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Multimodal Cross-scale Feature Fusion for Drug-Target Affinity Prediction
Zhengzhou Daxue xuebao. Gongxue banTo address the current challenges of relying solely on single-modal features of target proteins and neglecting network-scale features in biological networks, a drug-target affinity prediction (DTA) model based on multimodal cross-scale feature fusion ...
ZHENG Hong +3 more
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BMC BiologyAccurately identifying drug-target affinity (DTA) plays a pivotal role in drug screening, design, and repurposing in pharmaceutical industry. It not only reduces the time, labor, and economic costs associated with biological experiments but also ...
Xin Zeng +6 more
semanticscholar +1 more source
DrugForm-DTA: Towards real-world drug-target binding affinity model
Computational and Structural Biotechnology JournalDrug-target affinity (DTA) prediction is a fundamental challenge in drug discovery. Computational methods for predicting DTA can greatly assist drug design by narrowing the search space and reducing the number of protein-ligand complexes with low ...
Ivan Khokhlov +8 more
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CASTER-DTA: equivariant graph neural networks for predicting drug–target affinity
bioRxivAccurately determining the binding affinity of a ligand with a protein is important for drug design, development, and screening. With the advent of accessible protein structure prediction methods such as AlphaFold, predicted protein 3D structures are ...
Rachit Kumar +2 more
semanticscholar +1 more source
CPT: Pharmacometrics & Systems PharmacologyTarget‐mediated drug disposition (TMDD) is often associated with high‐affinity binding to a target resulting in nonlinear pharmacokinetics. For large molecules, such as monoclonal antibodies, this can lead to increased clearance at sub‐saturating ...
Ronny Straube
doaj +1 more source
The immune system as drug target [PDF]
, 2013 The immune system is perhaps the largest yet most diffuse and distributed somatic system in vertebrates. It plays vital roles in fighting infection and in the homeostatic control of chronic disease.
Flower, Darren R.
core +1 more source
GraphPrint: Extracting Features from 3D Protein Structure for Drug Target Affinity Prediction [PDF]
Accurate drug target affinity prediction can improve drug candidate selection, accelerate the drug discovery process, and reduce drug production costs. Previous work focused on traditional fingerprints or used features extracted based on the amino acid ...
Singh, Amritpal
core +1 more source
DTA Atlas: A massive-scale drug repurposing database
Artificial Intelligence in the Life SciencesThe drug development process is costly and time-consuming. Repurposing existing approved drugs, an efficient and cost-effective strategy, involves assessing numerous drug-protein pairs to uncover new interactions.
Madina Sultanova +4 more
doaj +1 more source
Drug-gene target prioritization.
, 2018 Drug-gene target prioritization.
Rozemarijn S. van Rijn (4898842) +10 more
core +1 more source