Schrödinger Workshop: Life-Sciences Molecular Dynamics

Tuesday, January 15, 2019

02:00 pm

Robin Li and Melissa Ma Science Library, Training Room (Room 402) at 376 Lomita Drive, Sapp Center for Science Teaching and Learning Map

Sponsored by:
Stanford Libraries and Schrödinger

This workshop is designed to enable users to run protein molecular dynamics simulations effectively using best practices. We cover basic workflows which include how to build systems appropriate for MD, running MD, basic and advanced trajectory analysis tools, and the architecture and configuration of Desmond input and output files. Finally, we will consider the use of binding-pose metadynamics as an approach for improved pose prediction within the context of a protein:ligand complex. Familiarity with Maestro is recommended. More details on MD can be found at: https://www.schrodinger.com/desmond

Topics to be covered:
1. Why use molecular dynamics?
2. Setting up MD simulations and best practices
3. Analyzing molecular dynamics trajectories
4. Binding-pose metadynamics

When:
Tuesday, January 15, 2019
02:00 pm – 06:00 pm
Where:
Robin Li and Melissa Ma Science Library, Training Room (Room 402) at 376 Lomita Drive, Sapp Center for Science Teaching and Learning Map
Admission:

Registration is required and is limited to current students, postdocs, faculty, and staff at Stanford. Please use your @stanford.edu email address when registering.  Click on More Info link to register for this event.

Tags:

Class Engineering Science 

Audience:
Faculty/Staff, Students
Contact:
650-725-1039, graceb@stanford.edu
More info:
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