Results 1 to 10 of about 1,037,789 (311)
Methods for Improving Aptamer Binding Affinity [PDF]
Molecules, 2016 Aptamers are single stranded oligonucleotides that bind a wide range of biological targets. Although aptamers can be isolated from pools of random sequence oligonucleotides using affinity-based selection, aptamers with high affinities are not always ...
Hijiri Hasegawa +3 more
doaj +5 more sources
DrugForm-DTA: Towards real-world drug-target binding affinity model [PDF]
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
doaj +2 more sources
iScience, 2023 Summary: CTCF is a DNA-binding protein which plays critical roles in chromatin structure organization and transcriptional regulation; however, little is known about the functional determinants of different CTCF-binding sites (CBS).
Ester Marina-Zárate +4 more
doaj +1 more source
Learned features of antibody-antigen binding affinity
Frontiers in Molecular Biosciences, 2023 Defining predictors of antigen-binding affinity of antibodies is valuable for engineering therapeutic antibodies with high binding affinity to their targets.
Nathaniel L. Miller +7 more
doaj +1 more source
Probing high affinity sequences of DNA aptamer against VEGF165. [PDF]
PLoS ONE, 2012 Vascular endothelial growth factor (VEGF(165)) is a potent angiogenic mitogen commonly overexpressed in cancerous cells. It contains two main binding domains, the receptor-binding domain (RBD) and the heparin-binding domain (HBD). This study attempted to
Harleen Kaur, Lin-Yue Lanry Yung
doaj +1 more source
Binding affinity and mechanisms of SARS-CoV-2 variants
Computational and Structural Biotechnology Journal, 2021 During the rapid worldwide spread of SARS-CoV-2, the viral genome has been undergoing numerous mutations, especially in the spike (S) glycoprotein gene that encode a type-I fusion protein, which plays an important role in the infectivity and ...
Yanqiang Han +4 more
doaj +1 more source
Method for computing protein binding affinity [PDF]
Journal of Computational Chemistry, 2004 AbstractA Monte Carlo method is given to compute the binding affinity of a ligand to a protein. The method involves extending configuration space by a discrete variable indicating whether the ligand is bound to the protein and a special Monte Carlo move, which allows transitions between the unbound and bound states.
Charles F. F. Karney +2 more
openaire +3 more sources
Intracellular drug binding affinities by NMR [PDF]
Acta Crystallographica Section D Structural Biology, 2021 A commentary on the article by Luchinat et al. [(2021), Acta Cryst. D77, 1247–1258] where they describe an approach to identify the details of a compound binding to a molecular target using in-cell NMR to provide intracellular binding affinities.
openaire +2 more sources
3pHLA-score improves structure-based peptide-HLA binding affinity prediction
Scientific Reports, 2022 Binding of peptides to Human Leukocyte Antigen (HLA) receptors is a prerequisite for triggering immune response. Estimating peptide-HLA (pHLA) binding is crucial for peptide vaccine target identification and epitope discovery pipelines.
Anja Conev +4 more
doaj +1 more source
GANsDTA: Predicting Drug-Target Binding Affinity Using GANs
Frontiers in Genetics, 2020 The computational prediction of interactions between drugs and targets is a standing challenge in drug discovery. State-of-the-art methods for drug-target interaction prediction are primarily based on supervised machine learning with known label ...
Lingling Zhao +4 more
doaj +1 more source