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.

 

REGISTER

  • "I definitely learned more about molecular modeling and feel like I leveled up as a medicinal chemist with the ability to use Maestro in my back pocket."

    - Tom Luong, PTC Therapeutics, Scientist II  

  • "The course was elegantly organized and profoundly impacted my understanding of CADD and the techniques surrounding rational ligand-receptor design."

    - Marshall Lougee, University of Pennsylvania, Graduate Student

  • "If you are interested in molecular modeling in drug discovery and you want to learn more about the latest trends in the computational methods, this schrödinger course is a great start."

    - Aslihan Shenol Iliyaz, Novo Nordisk Foundation Center for Basic Metabolic Research, Research Assistant


  • "Promptly graded assignments with helpful feedback guided the user through interactive and meaningful modules, which led to an amazing "coming-of-age"-like experience in the design of one's own ligand for VEGFR2."

    - Marshall Lougee, University of Pennsylvania, Graduate Student

  • "I found the course really helpful and am feeling a lot more comfortable with using Maestro and finally understanding the orders of operation and selection, which is awesome."

    - Gesine Veits, C4 Therapeutics, Senior Research Scientist 1

  • "I feel that I can start using Maestro for my research and feel relatively confident in the data I will be able to generate with it."

    - Gesine Veits, C4 Therapeutics, Senior Research Scientist 1

  • "A great opportunity to gain hands-on experience in this interesting field, to gain insights into this area, and to see things from many different angles!"

    - Sara Puglioli, University of Florence, Graduate Student

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