Results 11 to 20 of about 2,570,021 (252)

Multiplexed Affinity Measurements of Extracellular Vesicles Binding Kinetics [PDF]

Sensors, 2021
Extracellular vesicles (EVs) have attracted significant attention as impactful diagnostic biomarkers, since their properties are closely related to specific clinical conditions.
Elisa Chiodi, George G. Daaboul, Allison M. Marn, M. Selim Ünlü   +3 more
doaj   +3 more sources

Distance plus attention for binding affinity prediction

Journal of Cheminformatics
Protein-ligand binding affinity plays a pivotal role in drug development, particularly in identifying potential ligands for target disease-related proteins.
Julia Rahman, M. A. Hakim Newton, Mohammed Eunus Ali, Abdul Sattar   +3 more
doaj   +2 more sources

Ensembling methods for protein-ligand binding affinity prediction

Scientific Reports
Protein-ligand binding affinity prediction is a key element of computer-aided drug discovery. Most of the existing deep learning methods for protein-ligand binding affinity prediction utilize single models and suffer from low accuracy and generalization ...
Jiffriya Mohamed Abdul Cader, M. A. Hakim Newton, Julia Rahman, Akmal Jahan Mohamed Abdul Cader, Abdul Sattar   +4 more
doaj   +2 more sources

Cumulative mutagenesis of the basic residues in the 201-218 region of insulin-like growth factor (IGF)-binding protein-5 results in progressive loss of both IGF-I binding and inhibition of IGF-I biological action [PDF]

, 2005
We have reported previously that mutation of two conserved nonbasic amino acids (G203 and Q209) within the highly basic 201–218 region in the C-terminal domain of IGF-binding protein-5 (IGFBP-5) decreases binding to IGFs.
Clegg, R.A., Kelly, S.M., Allan, G.J., Flint, D.J., Shand, J., Beattie, J., Gow, I.F., Tonner, E., Szymanowska, M., Phillips, K.   +9 more
core   +4 more sources

Multiplexed Small Molecule Ligand Binding Assays by Affinity Labeling and DNA Sequence Analysis [PDF]

, 2021
Small molecule binding assays to target proteins are a core component of drug discovery and development. While a number of assay formats are available, significant drawbacks still remain in cost, sensitivity, and throughput.
Krusemark, Casey J., Casey, Krusemark, Bo, Cai, Cai, Bo   +3 more
core   +1 more source

Guanosine nucleotides regulate B2 kinin receptor affinity of agonists but not of antagonists: Discussion of a model proposing receptor precoupling to G protein [PDF]

, 2000
The effect of nucleotides on binding of the B2 kinin (BK) receptor agonist {[}H-3]BK and the antagonist {[}H-3]NPC17731 to particulate fractions of human foreskin fibroblasts was studied.
Er Faussner, Faussner, Alexander, Adelbert A. Roscher, Roscher, Adelbert A.   +3 more
core   +1 more source

Learning Protein-Ligand Binding Affinity with Atomic Environment Vectors [PDF]

, 2020
Scoring functions for the prediction of protein-ligand binding affinity have seen renewed interest in recent years when novel machine learning and deep learning methods started to consistently outperform classical scoring functions.
Andrew, Anighoro, Garrett, Morris, Philip, Biggin, Mike, Bodkin, Rocco, Meli   +4 more
core   +2 more sources

Current state of open source force fields in protein-ligand binding affinity predictions [PDF]

, 2023
In drug discovery, the in-silico prediction of binding affinity is one of the major means to prioritize compounds for synthesis. Alchemical relative binding free energy (RBFE) calculations based on molecular dynamics (MD) simulations is nowadays a ...
David F., Hahn, Vytautas, Gapsys, Bert L., de Groot, Gary J., Tresadern, David L., Mobley   +4 more
core   +2 more sources

Statistical deconvolution of enthalpic energetic contributions to MHC-peptide binding affinity [PDF]

, 2006
Background: MHC Class I molecules present antigenic peptides to cytotoxic T cells, which forms an integral part of the adaptive immune response. Peptides are bound within a groove formed by the MHC heavy chain. Previous approaches to MHC Class I-peptide
Hattotuwagama, C.K., Moss, David S., Davies, M.N., David S Moss, Drew, M.G.B., Channa K Hattotuwagama, Drew, Michael G.B., Flower, Darren R., Matthew N Davies, Hattotuwagama, Channa K., Davies, Matthew N., Michael GB Drew, Darren R Flower, Flower, D.R., Moss, D.S.   +14 more
core   +1 more source

Cyanovirin-N Binds Viral Envelope Proteins at the Low-Affinity Carbohydrate Binding Site without Direct Virus Neutralization Ability

Molecules, 2021
Glycan-targeting antibodies and pseudo-antibodies have been extensively studied for their stoichiometry, avidity, and their interactions with the rapidly modifying glycan shield of influenza A. Broadly neutralizing antiviral agents bind in the same order
Irene Maier, Robert H. Schiestl, Georg Kontaxis   +2 more
doaj   +1 more source