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143 results

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1. Ensembling methods for protein-ligand binding affinity prediction.

2. Hemoglobin and cytochrome c. reinterpreting the origins of oxygenation and oxidation in erythrocytes and in vivo cancer lung cells.

4. Full-color micro-LED display with photo-patternable and highly ambient-stable perovskite quantum dot/siloxane composite as color conversion layers.

5. An original approach to measure ligand/receptor binding affinity in non-purified samples.

8. Author Correction: pKa of opioid ligands as a discriminating factor for side effects.

9. GPCR_LigandClassify.py; a rigorous machine learning classifier for GPCR targeting compounds.

10. Engineering a solid-state metalloprotein hydrogen evolution catalyst.

11. Catalytic asymmetric Friedel–Crafts alkylation of unprotected indoles with nitroalkenes using a novel chiral Yb(OTf)3–pybox complex.

12. Photocatalyzed CO2 reduction to CO by supramolecular photocatalysts made of Ru(II) photosensitizers and Re(I) catalytic subunits containing preformed CO2TEOA adducts.

13. Molecular simulations of SSTR2 dynamics and interaction with ligands.

14. Sunsetting Binding MOAD with its last data update and the addition of 3D-ligand polypharmacology tools.

15. Deaza-modification of MR1 ligands modulates recognition by MR1-restricted T cells.

16. Bell-Evans model and steered molecular dynamics in uncovering the dissociation kinetics of ligands targeting G-protein-coupled receptors.

17. Synergistic use of siderophores and weak organic ligands during zinc transport in the rhizosphere controlled by pH and ion strength gradients.

18. Impact of crowded environments on binding between protein and single-stranded DNA.

19. A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity.

20. Centrosomal P4.1-associated protein (CPAP) positively regulates endocytic vesicular transport and lysosome targeting of EGFR.

21. Kokumi taste perception is functional in a model carnivore, the domestic cat (Felis catus).

22. Ubiquitin-mediated DNA damage response is synthetic lethal with G-quadruplex stabilizer CX-5461.

23. Vitamin D and lumisterol derivatives can act on liver X receptors (LXRs).

24. Cannabis sativa terpenes are cannabimimetic and selectively enhance cannabinoid activity.

25. Cryptic-site binding mechanism of medium-sized Bcl-xL inhibiting compounds elucidated by McMD-based dynamic docking simulations.

26. Functionally selective activation of the dopamine receptor D2 is mirrored by the protein expression profiles.

27. More than redox, biological organic ligands control iron isotope fractionation in the riparian wetland.

28. Autonomous molecule generation using reinforcement learning and docking to develop potential novel inhibitors.

29. Optical nanoscopy of transient states in condensed matter.

30. Revising the mechanism of p75NTR activation: intrinsically monomeric state of death domains invokes the "helper" hypothesis.

31. NanoBRET binding assay for histamine H2 receptor ligands using live recombinant HEK293T cells.

32. Engineering a disulfide-gated switch in streptavidin enables reversible binding without sacrificing binding affinity.

33. The discovery of a new antibody for BRIL-fused GPCR structure determination.

34. The TLR9 ligand CpG ODN 2006 is a poor adjuvant for the induction of de novo CD8+ T-cell responses in vitro.

35. Design, synthesis, structure, in vitro cytotoxic activity evaluation and docking studies on target enzyme GSK-3β of new indirubin-3ʹ-oxime derivatives.

36. Novel thymoquinone lipidic core nanocapsules with anisamide-polymethacrylate shell for colon cancer cells overexpressing sigma receptors.

37. Methane, arsenic, selenium and the origins of the DMSO reductase family.

38. Increased both PD–L1 and PD–L2 expressions on monocytes of patients with hepatocellular carcinoma was associated with a poor prognosis.

39. High-efficiency enrichment enables identification of aptamers to circulating Plasmodium falciparum-infected erythrocytes.

40. The aryl hydrocarbon receptor pathway controls matrix metalloproteinase-1 and collagen levels in human orbital fibroblasts.

41. Structural Basis for PPARα Activation by 1H-pyrazolo-[3,4-b]pyridine Derivatives.

42. Molecular analysis of the massive GSH transport mechanism mediated by the human Multidrug Resistant Protein 1/ABCC1.

43. Rational identification and characterisation of peptide ligands for targeting polysialic acid.

44. A comparative chemogenic analysis for predicting Drug-Target Pair via Machine Learning Approaches.

45. Synthesis, crystal structure, photoluminescence and catalytic properties of a novel cuprous complex with 2,3-pyrazinedicarboxylic acid ligands.

46. A call for refining the role of humic-like substances in the oceanic iron cycle.

47. N-Phenethyl Substitution in 14-Methoxy-N-methylmorphinan-6-ones Turns Selective µ Opioid Receptor Ligands into Dual µ/δ Opioid Receptor Agonists.

48. Targeted Drug Delivery of Microbubble to Arrest Abdominal Aortic Aneurysm Development: A Simulation Study Towards Optimized Microbubble Design.

49. Characterisation of the Cyanate Inhibited State of Cytochrome c Oxidase.

50. Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.