WideDTA: prediction of drug-target binding affinity
, 2019 Motivation: Prediction of the interaction affinity between proteins and compounds is a major challenge in the drug discovery process. WideDTA is a deep-learning based prediction model that employs chemical and biological textual sequence information to predict binding affinity.
Öztürk, Hakime +2 more
openaire +2 more sources
Complex interplay of kinetic factors governs the synergistic properties of HIV-1 entry inhibitors. [PDF]
, 2017 The homotrimeric HIV-1 envelope glycoprotein (Env) undergoes receptor-triggered structural changes that mediate viral entry through membrane fusion. This process is inhibited by chemokine receptor antagonists (CoRAs) that block Env-receptor interactions ...
Ahn, Koree W., Root, Michael J.
core +2 more sources
Target identification strategies in plant chemical biology [PDF]
, 2014 The current needs to understand gene function in plant biology increasingly require more dynamic and conditional approaches opposed to classic genetic strategies.
Dejonghe, Wim, Russinova, Eugenia
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ResDTA: Predicting Drug-Target Binding Affinity Using Residual Skip Connections
, 2023 40 pages, 10 figures, 2 tables.
Ghosh, Partho, Haque, Md. Aynal
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Dipeptide Frequency of Word Frequency and Graph Convolutional Networks for DTA Prediction
Frontiers in Bioengineering and Biotechnology, 2020 Deep learning is an effective method to capture drug-target binding affinity, but low accuracy is still an obstacle to be overcome. Thus, we propose a novel predictor for drug-target binding affinity based on dipeptide frequency of word frequency ...
Xianfang Wang +6 more
doaj +1 more source
A brief review of protein–ligand interaction prediction
Computational and Structural Biotechnology Journal, 2022 The task of identifying protein–ligand interactions (PLIs) plays a prominent role in the field of drug discovery. However, it is infeasible to identify potential PLIs via costly and laborious in vitro experiments.
Lingling Zhao +5 more
doaj +1 more source
VNARs: An Ancient and Unique Repertoire of Molecules That Deliver Small, Soluble, Stable and High Affinity Binders of Proteins [PDF]
, 2015 Peer reviewedPublisher ...
Clem +4 more
core +3 more sources
BMC BioinformaticsBackground Accurately identifying drug-target interaction (DTI), affinity (DTA), and binding sites (DTS) is crucial for drug screening, repositioning, and design, as well as for understanding the functions of target.
Xin Zeng +5 more
doaj +1 more source
Multivariate PLS Modeling of Apicomplexan FabD-Ligand Interaction Space for Mapping Target-Specific Chemical Space and Pharmacophore Fingerprints. [PDF]
PLoS ONE, 2015 Biomolecular recognition underlying drug-target interactions is determined by both binding affinity and specificity. Whilst, quantification of binding efficacy is possible, determining specificity remains a challenge, as it requires affinity data for ...
Ashalatha Sreshty Mamidi +2 more
doaj +1 more source
Single-domain antibodies and their formatting to combat viral infections [PDF]
, 2018 Since their discovery in the 1990s, single-domain antibodies (VHHs), also known as NanobodiesA (R), have changed the landscape of affinity reagents. The outstanding solubility, stability, and specificity of VHHs, as well as their small size, ease of ...
Ballegeer, Marlies +4 more
core +2 more sources