Online Course: Introduction to Molecular Modeling in Drug Discovery June 2020

***Registration Closes June 10, 2020***

Are you interested in enhancing your understanding of Drug Discovery sitting in the comfort of your home as you work remotely?

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.

Whether you are looking for professional development or expanded skills for your CV, this course will provide practical applications of computational modeling using active learning strategies and multiple types of content. 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.

Upon verified completion of the course participants will receive a certificate of completion and a Schrödinger: Molecular Modeling in Drug Discovery Badge

Course Outline:

Module 1: Applying Molecule Modeling to Drug Discovery

Module 2: Creating Computational Molecules with Maestro

Module 3: Viewing Protein-Ligand Interactions

Module 4: Model Protein-Ligand Poses in Hit Identification and Optimization

Module 5: Ligand-Based Virtual Screening in Preparation for SAR

Module 6: Combining Modeling and Experimental Data for SAR Development

Module 7: Drug Discovery Case Study on VEGFR2

Access to a computer with a high-speed internet connection (8 Mbps or better). We also recommend using a mouse, but this is not required.

Prerequisites

Schrödinger’s online course does not require any books, access to specific journals (though many references are included for those who do have journal access), or access to Schrödinger software. Participants should be comfortable with common organic chemistry terms, have some familiarity with the drug discovery pipeline, be able to work on a computer with reliable high-speed internet, and have a working knowledge of protein function. Participants should be familiar with the concepts of protein structure, compound potency, molecular mass, and pKa. Participants that are not familiar with protein structure can supplement their knowledge through lectures that are offered by Khan Academy. Participants should also be familiar with cellular components and the role of proteins in cells. An understanding of the role of kinases, receptors, and other enzymes is valuable, but not critical.

Participants that have registered for the Introduction to Molecular Modeling in Drug Discovery course who notify customerservice@nyas.org at least 7 days before a session start date may receive a full credit towards a future program, or a refund of their tuition less a $15 administrative service charge per course. Registrants failing to attend a program for which they are registered, as well as those who notify customerservice@nyas.org of their cancellation less than 7 days of the program start, will be assessed the full program fee. Please note that at any time before a course closes, a colleague can be substituted in the registrant's place.

Frequently Asked Questions

Will material still be available after a course ends?

While access to the software will end when the course closes, some of the material within the course (slides, papers, and tutorials) are available for download so that you can refer back to it after the course. Other materials, such as videos and quizzes that you complete during the course session, will only be available within the course platform but still accessible after the course closes. Access to the software platforms will only be available for the duration of the course.

Do I need access to the software to be able to do the course? Do I have to purchase the software separately?

For the duration of the course, you will have access to a web-based version of Maestro as well as LiveDesign. You do not have to separately purchase access to these things. While access to the software will end when the course closes, some of the material within the course (slides, papers, and tutorials) are available for download so that you can refer back to it after the course. Other materials, such as videos, quizzes, and access to the software, will only be available for the duration of the course. Please note that Schrödinger software is only to be used for course-related purposes.

Do I need to know how to use Maestro/LiveDesign to be able to take this course?

No. The modules within the course will familiarize you with both interfaces and teach you how to perform tasks and execute workflows within them.

Does this course teach you how to use the software or about design principles?

Both. As this has been designed with a person who is new to molecular modeling and drug discovery in mind, the course begins with an introduction to the drug discovery pipeline and how molecular modeling fits into it. The initial modules will teach the participant how to use the software interface and perform calculations. The middle modules will look at an example system for drug discovery highlighting important decisions to make during various stages of drug design research. The final module will be a case study where participants will apply all the concepts they have learned to design and assess new compounds for a drug target.

How long do courses run? How long do I have to do the course? Do I have to complete the course by a certain time?

Schrödinger’s online course is completely asynchronous, meaning you can work at your own pace and whenever suits your schedule during a course session. Course sessions are 4 weeks in length, with all course content being available during that time. In order to be considered for a certificate and LinkedIn badge, you must complete all required elements of the course (quizzes, assignments, and the final case study) while the course is in session.