نتائج البحث

Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.

• Authors : de Souza Neto, Lauro Ribeiro¹ (AUTHOR); Montoya, Bogar Omar¹ (AUTHOR); Brandão-Neto, José^2,3 (AUTHOR)

• Source: Scientific Reports. 1/18/2024, Vol. 13 Issue 1, p1-15. 15p.

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The Increase in the Peroxidase Activity of the Cytochrome C with Substitutions in the Universal Binding Site Is Associated with Changes in the Ability to Interact with External Ligands.

• Authors : Chertkova, Rita V.¹ (AUTHOR) ; Oleynikov, Ilya P.² (AUTHOR) ; Pakhomov, Alexey A.¹ (AUTHOR)

• Source: International Journal of Molecular Sciences. Aug2024, Vol. 25 Issue 15, p8237. 23p.

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VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification

• Authors : Sestak, Florian; Schneckenreiter, Lisa; Brandstetter, Johannes

Subjects: Computer Science - Machine Learning; Computer Science - Artificial Intelligence; Quantitative Biology - Biomolecules

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General anesthetic binding mode via hydration with weak affinity and molecular discrimination: General anesthetic dissolution in interfacial water of the common binding site of GABAA receptor.

• Authors : Tomoyoshi Seto¹

• Source: Biophysics & Physicobiology. 2023, Vol. 20 Issue 2, p1-15. 15p.

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Protein Language Model-Powered 3D Ligand Binding Site Prediction from Protein Sequence

• Authors : Zhang, Shuo; Xie, Lei

Subjects: Quantitative Biology - Quantitative Methods; Computer Science - Computation and Language; Computer Science - Machine Learning

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Protein ligand binding site prediction using graph transformer neural network.

• Authors : Ishitani, Ryuichiro^1,2,3 (AUTHOR) ; Takemoto, Mizuki¹ (AUTHOR); Tomii, Kentaro⁴ (AUTHOR)

Subjects: *DRUG discovery; *LIGAND binding (Biochemistry); *BINDING sites

• Source: PLoS ONE. 8/6/2024, Vol. 19 Issue 8, p1-14. 14p.

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Molecular Mechanisms of the Impaired Heparin Pentasaccharide Interactions in 10 Antithrombin Heparin Binding Site Mutants Revealed by Enhanced Sampling Molecular Dynamics.

• Authors : Balogh, Gábor¹ (AUTHOR) ; Bereczky, Zsuzsanna¹ (AUTHOR)

• Source: Biomolecules (2218-273X). Jun2024, Vol. 14 Issue 6, p657. 22p.

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Primary Nucleation of Polymorphic α-Synuclein Dimers Depends on Copper Concentrations and Definite Copper-Binding Site.

• Authors : Blacher, Carmia^1,2,3 (AUTHOR); Abramov-Harpaz, Karina^1,2,3 (AUTHOR); Miller, Yifat^1,2,3 (AUTHOR)

• Source: Biomolecules (2218-273X). Jun2024, Vol. 14 Issue 6, p627. 20p.

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Development of a novel peptide aptamer that interacts with the eIF4E capped-mRNA binding site using peptide epitope linker evolution (PELE)

• Authors : Frosi, Y; Ng, S; Lin, YC

Subjects: Medicin och hälsovetenskap

• Source: RSC chemical biology. 3(7):916-930

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Discovery of potent tubulin inhibitors targeting the colchicine binding site via structure-based lead optimization and antitumor evaluation.

• Authors : Liu, Wei¹ (AUTHOR); He, Youyou^1,2 (AUTHOR); Guo, Zhongjie² (AUTHOR)

Subjects: *TUBULINS; *BINDING sites; *COLCHICINE

• Source: Journal of Enzyme Inhibition & Medicinal Chemistry. Dec2023, Vol. 38 Issue 1, p1-18. 18p.

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