INTRODUCTION TO MOLECULAR MODELING IN DRUG DISCOVERY
INTRODUCTION TO MOLECULAR MODELING IN DRUG DISCOVERY
A Schrödinger Online Course
Computational molecular modeling tools are changing the world of drug discovery and design. And yet while managing automated systems is anticipated to be an expectation of chemists going forward,1 employers are having a hard time finding workers skilled in the tools they need.2
Schrödinger's online course, Introduction to Molecular Modeling in Drug Discovery, will show how industry-leading computational molecular modeling tools are used to aid in drug discovery and design and how to incorporate these tools into your research project. In addition to utilizing modern techniques such as active learning and multimodal teaching, this course will also provide a chance to work hands-on with Schrödinger's Maestro and LiveDesign.
Whether you are looking for professional development, expanded skills for your CV, or a consistent way to onboard new employees, this course will provide practical applications of computational modeling relevant to a wide range of research topics. At the end of the course, you will have a chance to apply the concepts you've learned to a VEGFR2 case study in new cancer treatments using cutting-edge technology.
Course Outline:
Broken up into 7 modules, this course is entirely self-paced. It will take approximately 20 hours for someone new to computational modeling to complete (actual time may vary depending on experience). The modules can be done on your own schedule.
Module 1 - Applying Molecular Modeling to Drug Discovery
- Course Syllabus
- Pretest for Molecular Modeling in Drug Discovery
- Video: Introduction to Your Short Course in Drug Discovery
- Podcast: Introduction to Molecular Modeling in Drug Discovery
- End of Module Exercises
Module 2 - Creating Computational Molecules with Maestro
- Video: Bring Proteins into Your Modeling Microscope
- Video: Create and Modify Small Molecules
- End of Module Exercises
Module 3 - Viewing Protein-Ligand Interactions
- Video: Bring Proteins into Maestro
- Read: Medicinal Chemists Guide to Molecular Interactions
- End of Module Exercises
Module 4 - Modeling Protein-Ligand Poses in Hit Identification and Optimization
- Video: Find Poses for New Compound Ideas
- Tutorial: Find New Protein-ligand Poses With Docking
- End of Module Exercises
Module 5 - Virtually Screening Large Compound Libraries in Preparation for SAR
- Video: Ligand-based Screening Background
- Tutorial: High-throughput Ligand-based Virtual Screens
- Cheat Sheets: Ligand-based Drug Design
- End of Module Exercises
Module 6 - Combining Modeling and Experimental Data for SAR Development
- Video: Use Models to Understand SAR
- Podcast: Organize Data and Collaborate Effectively in Drug Discovery
- Cheat Sheets: Integrating and Importing Data into Collaborative Databases
- End of Module Exercises
Module 7 - Drug Discovery Case Study on VEGFR2
- Video: Background on Kinase Structure and Activity
- Case Study: VEGFR2 Kinase Inhibitors
- Video: Summary of Short Course and Introduction to Advanced Topics
- End of Module Exercises
Badge
Upon verified completion of the course, students will receive a certificate of completion and a Schrödinger: Molecular Modeling in Drug Discovery Badge.
Coming Soon!
This Schrödinger Online Course is still in beta, but will be availble soon. Be the first to know as soon as it launches by joining our mailing list! For additional information about the course, please email online-learning@schrodinger.com.