Navigating Drug Discovery: One-Day Comprehensive Virtual Workshop on SAMSON Software Suite
Objectives:
This comprehensive introductory course provides a practical overview of SAMSON, a powerful platform for molecular design, simulation, and analysis. Participants will gain hands-on experience with SAMSON's core functionalities and an understanding of its capabilities in scientific research and development.
Event Date: 23rd November 2024.
Event Timings: 3:30 PM to 6:30 PM IST.
Registration fee: NIL
Registration Deadline: 22 November 2024.
Registration Link: https://forms.office.com/r/kGKF60zLNA
Speaker Bio:
Stephane Redon is co-founder and CEO of OneAngstrom, the developers of the SAMSON platform for molecular design: https://www.samson-connect.net. Until September 2018, Stephane was a senior researcher at Inria and the leader of the NANO-D group that he started in 2008 to develop algorithms for nanoscience. His research has been funded by Inria, ANR and the European Research Council.
He has been teaching at Ecole Polytechnique in Paris from 2005 to 2024. He is the principal architect and lead developer of the SAMSON software platform for molecular modelling.
Content of the Workshop:
This comprehensive 3-hour introductory course provides a practical overview of SAMSON, a powerful platform for molecular design, simulation, and analysis. Participants will gain hands-on experience with SAMSON's core functionalities and an understanding of its capabilities in scientific research and development. The course will cover the following key topics:
1. SAMSON Connect and Profile Setup: Attendees will begin by signing up on SAMSON Connect, creating a user profile, and familiarizing themselves with profile management to access SAMSON’s resources and community features.
2. Downloading and Installing SAMSON: Step-by-step guidance will ensure a smooth installation process, preparing participants for productive use of the software.
3. Interface Overview: A guided walkthrough of SAMSON’s interface, including main toolbars, menus, and the workspace, will introduce users to the layout and essential functions.
4. Documentation and Tutorials: Attendees will be introduced to SAMSON's interactive documentation and tutorials, enabling independent learning and skill-building after the course.
5. SAMSON AI: A look at SAMSON's AI features, exploring how SAMSON AI can assist in complex tasks.
6. Selection: Instruction on selecting atoms and molecules within structures, setting the foundation for more complex operations in molecular modeling.
7. Visualization: Techniques for visualizing molecular structures, including views, styles, and options for rendering with Cycles, SAMSON's high-quality rendering engine.
8. Animation: Basics of animating molecular structures to observe dynamics and explore different structural configurations.
9. Construction: An introduction to SAMSON’s construction tools for building molecular structures from scratch or modifying existing structures.
10. Protein Structure Prediction: Overview of SAMSON’s capabilities for predicting protein structures and understanding their conformational preferences.
11. Protein-Ligand Docking: Introduction to the process of docking ligands to proteins, a critical step in drug design and molecular interactions research.
12. Molecular Dynamics Simulations: Basics of setting up and running molecular dynamics simulations to study the behavior of molecules over time.
13. Programming in Python and C++: A beginner-friendly overview of scripting and programming capabilities in SAMSON, with examples in Python and C++ for custom analyses and automation.
14. Sharing and Collaboration: Demonstration of how to share SAMSON documents and jobs, either privately with team members or publicly with the wider community.
15. Contacting Support: Participants will learn how to contact the SAMSON team for support and engage with the community for ongoing assistance and updates.
By the end of this course, participants will have a well-rounded foundation in SAMSON’s key functionalities, enabling them to confidently navigate the software, conduct molecular modelling tasks, and continue exploring SAMSON’s extensive features independently.
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