57 results on '"Keserű, György M."'
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2. Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential.
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3. Site-Selective Antibody Conjugation with Dibromopyrazines.
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
7. On-DNA Synthesis of Multisubstituted Indoles.
8. On-DNA Synthesis of Multisubstituted Indoles
9. Conservation of Allosteric Ligand Binding Sites in G‑Protein Coupled Receptors.
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?
13. Vinylation of α‑Aminoazoles with Triethylamine: A General Strategy to Construct Azolo[1,5‑a]pyrimidines with a Nonsubstituted Ethylidene Fragment.
14. Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery.
15. Affinity and Selectivity Assessment of Covalent Inhibitors by Free Energy Calculations.
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
21. Catalytic Mechanism and Covalent Inhibition of UDP‑N‑Acetylglucosamine Enolpyruvyl Transferase (MurA): Implications to the Design of Novel Antibacterials.
22. Why Some Targets Benefit from beyond Rule of Five Drugs.
23. Comparative Evaluation of Covalent Docking Tools.
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
35. Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia.
36. Structure-Based Consensus Scoring Scheme for Selecting Class A Aminergic GPCR Fragments.
37. Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening.
38. Structure-based discovery and binding site analysis of histamine receptor ligands
39. The Impact of Molecular Dynamics Sampling on the Performance of Virtual Screening against GPCRs.
40. How AreFragments Optimized? A Retrospective Analysisof 145 Fragment Optimizations.
41. Contributions of Molecular Properties to Drug Promiscuity.
42. Thermodynamics of FragmentBinding.
43. Impact of Lipophilic Efficiency on Compound Quality.
44. Discovery of Novel Histamine H4 and Serotonin Transporter Ligands Using the Topological Feature Tree Descriptor.
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
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