Results 31 to 40 of about 1,037,789 (311)

Quantification of binding affinity of glyconanomaterials with lectins

Chemical Communications, 2020
This Feature Article discusses the techniques to determine the binding affinity glyconanomaterials, which is critical for the evaluation of nanomaterials as multivalent scaffolds in enhancing carbohydrate–lectin interactions.
Sajani H. Liyanage, Mingdi Yan
openaire   +3 more sources

Characterization of Aptamer-Protein Complexes by X-ray Crystallography and Alternative Approaches [PDF]

, 2012
Aptamers are oligonucleotide ligands, either RNA or ssDNA, selected for high-affinity binding to molecular targets, such as small organic molecules, proteins or whole microorganisms.
Levisson, M., Smidt, H., Ruigrok, V.J.B., Mark Levisson, Dijkstra, B.W., Hekelaar, J., Dijkstra, Bauke W., Hauke Smidt, Ruigrok, Vincent J.B.,, van der Oost, John, Bauke W. Dijkstra, Smidt, Hauke,, Hekelaar, Johan, Dijkstra, Bauke W.,, Hekelaar, Johan,, Vincent J. B. Ruigrok, Levisson, Mark,, Oost, J., van der, Levisson, Mark, Smidt, Hauke, Johan Hekelaar, John Van der Oost, van der Oost, J., Oost, John van der,, Ruigrok, Vincent J. B.   +24 more
core   +1 more source

Affinity of cefoperazone for penicillin-binding proteins [PDF]

Antimicrobial Agents and Chemotherapy, 1980
Cefoperazone (T-1551, CFP) a new semisynthetic cephalosporin, has a broad spectrum of antibacterial activity. We investigated the affinity of CFP to penicillin-binding proteins (PBPs) and the inhibition of peptidoglycan synthesis by CFP. CFP had high affinities for Escherichia coli PBP-3, -1Bs, -2, and -1A, in descending order, and low affinities for ...
N, Matsubara, S, Minami, M, Matsuhashi, M, Takaoka, S, Mitsuhashi   +4 more
openaire   +2 more sources

Specific integrin alpha and beta chain phosphorylations regulate LFA-1 activation through affinity-dependent and -independent mechanisms [PDF]

, 2005
Integrins are adhesion receptors that are crucial to the functions of multicellular organisms. Integrin-mediated adhesion is a complex process that involves both affinity regulation and cytoskeletal coupling, but the molecular mechanisms behind this ...
Susanna C. Fagerholm, Fagerholm, Susanna C., Nurmi, SM, Hilden, Tiina J., Gahmberg, CG, Gahmberg, Carl G., Carl G. Gahmberg, Susanna M. Nurmi, Nurmi, Susanna M., Fagerholm, SC, Tiina J. Hilden, Hilden, TJ   +11 more
core   +1 more source

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

, 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   +1 more source

Learning Protein-Ligand Binding Affinity with Atomic Environment Vectors

, 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   +1 more source

Affinity-enhanced RNA-binding domains as tools to understand RNA recognition

, 2023
Understanding how the RNA-binding domains of a protein regulator are used to recognize its RNA targets is a key problem in RNA biology, but RNA-binding domains with very low affinity do not perform well in the methods currently available to characterize ...
Evangelos Christodoulou (30025), Giancarlo Abis (7851488), Ian A Taylor (8117153), Belén Chaves-Arquero (11630811), Katherine M Collins (9211667), Geoff Kelly (212365), Andres Ramos (2479399)   +6 more
core   +1 more source

Reversible domain closure modulates GlnBP ligand binding affinity

PLoS ONE, 2022
Glutamine binding protein (GlnBP) is an Escherichia Coli periplasmic binding protein, which binds and carries glutamine to the inner membrane ATP-binding cassette (ABC) transporter. GlnBP binds the ligand with affinity around 0.1μM measured by isothermal
Qun Chen, Fang Li, Xiaobing Zuo, Jin Chen, Peiwu Qin, Chuhui Wang, Jin Xu, Danyu Yang, Baogang Xing, Ying Liu, Peng Jia, Linling Li, Chengming Yang, Dongmei Yu   +13 more
doaj   +2 more sources

Learning protein binding affinity using privileged information

BMC Bioinformatics, 2018
Background Determining protein-protein interactions and their binding affinity are important in understanding cellular biological processes, discovery and design of novel therapeutics, protein engineering, and mutagenesis studies.
Wajid Arshad Abbasi, Amina Asif, Asa Ben-Hur, Fayyaz ul Amir Afsar Minhas   +3 more
doaj   +1 more source

Prediction of protein-ligand binding affinity with deep learning

Computational and Structural Biotechnology Journal, 2023
The prediction of binding affinities between target proteins and small molecule drugs is essential for speeding up the drug research and design process. To attain precise and effective affinity prediction, computer-aided methods are employed in the drug ...
Yuxiao Wang, Qihong Jiao, Jingxuan Wang, Xiaojun Cai, Wei Zhao, Xuefeng Cui   +5 more
doaj   +1 more source