Cyclic Peptide Modeling & Informatics
Structure-based workflows, collaborative peptide informatics, and other fundamentals of cyclic peptide drug discovery
Details
Available Languages
Chinese, English, Japanese, Korean
Duration
3 weeks from selected start date
Level
Introductory
Cost
Free
Who should take this course?
Peptide chemists, medicinal chemists, computational chemists
Overview
Given the unique ability of macrocycles to address historically undruggable targets, the capacity to effectively model and manage cyclic peptide data is a vital skill for both medicinal and computational chemists. This introductory course is intended to provide the foundational knowledge needed to tackle complex macrocyclic design and informatics challenges within an active project context. Whether you want to have more effective conversations with your computational colleagues or simply understand what is possible, this course will equip you with the strategic understanding to leverage cyclic peptide modeling effectively to predict 3D conformations, permeability, binding binding, and more.
Note: This is a free introductory course focusing on background and application. This is not a hands-on course.
Ideal if you are trying to:
- A curated resource containing background lectures, and demonstrations of modeling and informatics workflows for cyclic peptide optimization
- The ability to bridge the gap between traditional small-molecule modeling workflows and the unique biophysical reality of large, flexible macrocyclic rings
This course comes with temporary access to a web-based version of Schrödinger software, complete with licenses and compute resources
Requirements
- Working knowledge of organic chemistry
- Background in drug discovery
- If you are looking to follow along with the Module 2 tutorials, which itself is not a requirement, you will need to already have access to Schrödinger software
Certification
- A certificate signed by the Schrödinger course lead to add to your CV or resume
- A badge that can be posted to social media, such as LinkedIn
What you will learn
Cyclic peptide overview
Learn the foundational biology and chemistry of cyclic peptides as a drug modality, alongside the unique conformational sampling challenges that large cyclic systems present
Survey of modeling tools
Learn how modeling workflows can be used for cyclic peptide optimization
Cyclic peptide modeling
Walk through several tutorials covering key cyclic peptide modeling workflows such as cyclization, alignment, and residue mutation
Applied peptide informatics
Explore a series of interactive tutorials within LiveDesign to manage, visualize, and analyze data workflows specifically tailored for peptide design teams
Modules
Module 1
Introduction to cyclic peptide modeling and optimization
Videos
- Introduction to cyclic peptides
- Cyclic peptide sampling
- Cyclic peptide modeling
End of module checkpoint
Module 2
Curated collection of cyclic peptide modeling tutorials
Tutorials
- Preparing cyclic peptides and aligning them to a reference structure
- Handling non-standard amino acids
- Peptide cyclization
End of module checkpoint
Module 3
Peptide Informatics in LiveDesign
Video
Peptide Informatics
Tutorials
A series of interactive tutorials highlighting cyclic peptide relevant LiveDesign functionality
Course completion and certification
Show off your newly acquired skills with a course badge and certificate
When you complete a course with us in molecular modeling and are ready to share what you learned with your colleagues and employers, you can share your certificate and badge on your LinkedIn profile.
Frequently asked questions
What time are the lectures?
Once the session begins, you can view the videos and quizzes at your convenience. When registering, you will select a start and end date, and you will have access to the course materials 24/7 during that window to fit your schedule.
How could I pay for this course?
No, this course is available free of charge. Payment is not considered for this course.
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, quizzes, and access to the software, will only be available for the duration of the course.
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