Computer-Driven Discovery of GPCR Ligands with New Chemotypes and Functional Selectivity

Computer-Driven Discovery of GPCR Ligands with New Chemotypes and Functional Selectivity

MolSoft Molecules in Silico via YouTube Direct link

Outline

7 of 20

7 of 20

Outline

Class Central Classrooms beta

YouTube videos curated by Class Central.

Classroom Contents

Computer-Driven Discovery of GPCR Ligands with New Chemotypes and Functional Selectivity

Automatically move to the next video in the Classroom when playback concludes

  1. 1 Intro
  2. 2 Structure-Function and Ligand design for GPCRs
  3. 3 Core Computational Technologies
  4. 4 Design of bitopic ligands for μ-Opioid Receptor
  5. 5 Modulating functional pathways of μ-Opioid receptor by targeting conserved Na* site
  6. 6 Ongoing and Emerging Directions Rational Structure-Based Ligand Design
  7. 7 Outline
  8. 8 How to Discover New Leads for a Protein Target?
  9. 9 Major Breakthroughs for Structure-Based VLS
  10. 10 REAL Space: On Demand Virtual Libraries for Screening
  11. 11 Proposed acceleration approaches
  12. 12 Idea: Use chemical modularity of REAL libraries
  13. 13 Selection of Minimal Fragments: Binding pose matters
  14. 14 V-SYNTHES Computational Benchmarking (with Binding Score & Pose selection)
  15. 15 Analogs-by-Catalog optimization of #523 series
  16. 16 V-SYNTHES 2.1-next level of scale and automation
  17. 17 V-SYNTHES collaborative applications to diverse targets
  18. 18 Enamine Libraries: from HTS to V-SYNTHES
  19. 19 Custom combinatorial libraries based on SuFEx "click" reaction
  20. 20 Novel Angiotensin AT2 antagonists for neuropathic pair From discovery to a (pre)clinical candidate

Never Stop Learning.

Get personalized course recommendations, track subjects and courses with reminders, and more.

Someone learning on their laptop while sitting on the floor.