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.
The course fee is $475 for non-student users and $350 for student users. On average the course takes about 20 hours over a span of 4 weeks to complete. If you have any questions don't hesitate to email us at online-learning@schrodinger.com.
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: Molecular Modeling Concepts in Drug Discovery
- End of Module Exercises
Module 2 - Creating Computational Molecules with Maestro
- Video: Bring Molecules into Maestro
- 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: Modeling Protein-Ligand Poses for Hit Identification
- Video: Find New Protein-Ligand Poses with Docking
- End of Module Exercises
Module 5 - Ligand-Based Virtual Screening in Preparation for SAR
- Video: Ligand-Based Screening Methods
- Tutorial: High-Throughput Ligand-Based Virtual Screens
- Cheat Sheets: Computational Drug Design
- End of Module Exercises
Module 6 - Combining Modeling and Experimental Data for SAR Development
- Video: Organize Data and Collaborate Effectively in Drug Design
- Video: Workflows for Collaborative Drug Discovery
- Tutorial: Ideation for Drug Discovery Projects
- 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
Badge
Upon verified completion of the course, students will receive a certificate of completion and a Schrödinger: Molecular Modeling in Drug Discovery Badge.
Get Started!
Ready to start learning? Simply click the register button below to get started. Please note a Schrödinger Web Account is required to access the registration page. If you don't already have a web account you can request one here. For additional information about the course, please email online-learning@schrodinger.com.