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4. Contribution of Noncovalent Recognition and Reactivity to the Optimization of Covalent Inhibitors: A Case Study on KRasG12C.

5. Site-Selective Antibody Conjugation with Dibromopyrazines

6. Contribution of Noncovalent Recognition and Reactivity to the Optimization of Covalent Inhibitors: A Case Study on KRasG12C

8. On-DNA Synthesis of Multisubstituted Indoles

10. Conservation of Allosteric Ligand Binding Sites in G-Protein Coupled Receptors

11. Maximizing the integration of virtual and experimental screening in hit discovery

12. Favipiravir for the treatment of COVID-19 in elderly patients—what do we know after 2 years of COVID-19?

16. Fragment-Based Optimization of Dihydropyrazino-Benzimidazolones as Metabotropic Glutamate Receptor-2 Positive Allosteric Modulators against Migraine

17. Vinylation of α-Aminoazoles with Triethylamine: A General Strategy to Construct Azolo[1,5-a]pyrimidines with a Nonsubstituted Ethylidene Fragment

18. Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery

19. Affinity and Selectivity Assessment of Covalent Inhibitors by Free Energy Calculations

20. Allosteric activation of metabotropic glutamate receptor 5

24. Thermodynamic profiling for fragment-based lead discovery and optimization

25. Catalytic Mechanism and Covalent Inhibition of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA): Implications to the Design of Novel Antibacterials

26. Why Some Targets Benefit from beyond Rule of Five Drugs

27. Fragment-Based Approaches for Allosteric Metabotropic Glutamate Receptor (mGluR) Modulators

28. Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential

29. Exploring Chemical Spaces in the Billion Range: Is Docking a Computational Alternative to DNA-Encoded Libraries?

30. The Impact of Molecular Dynamics Sampling on the Performance of Virtual Screening against GPCRs

31. Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures

32. Fragment Based Optimization of Metabotropic Glutamate Receptor 2 (mGluR2) Positive Allosteric Modulators in the Absence of Structural Information

33. Drug discovery strategies and the preclinical development of D-amino-acid oxidase inhibitors as antipsychotic therapies

34. Comparative Evaluation of Covalent Docking Tools

38. Structure-based discovery and binding site analysis of histamine receptor ligands

45. Identification of Novel Histamine H4 Ligands by Virtual Screening on Molecular Dynamics Ensembles

46. The Small Molecule Inhibitor G6 Significantly Reduces Bone Marrow Fibrosis and the Mutant Burden in a Mouse Model of Jak2-Mediated Myelofibrosis

47. Histamine H4 receptor ligands and their potential therapeutic applications: an update

48. Application of the BD ACTOne™ Technology for the High-Throughput Screening of Gs-Coupled Receptor Antagonists

49. Scheduling a Flexible, Open-Architecture Robotic Workstation under LabWindows

50. Scheduling a Flexible, Open-Architecture Robotic Workstation under LabWindows