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Emad Tajkhorshid & Zan Luthey -Schulten Center for Computational Biology and Biophysics

Hands-on Course in Computational Structural Biology and Molecular Simulation BIOP 586C / Chem 470. Emad Tajkhorshid & Zan Luthey -Schulten Center for Computational Biology and Biophysics Departments of Chemistry and Biochemistry Beckman Institute. Course Details.

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Emad Tajkhorshid & Zan Luthey -Schulten Center for Computational Biology and Biophysics

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  1. Hands-on Course inComputational Structural Biology and Molecular SimulationBIOP 586C / Chem 470 Emad Tajkhorshid & ZanLuthey-Schulten Center for Computational Biology and Biophysics Departments of Chemistry and Biochemistry Beckman Institute

  2. Course Details • Lectures: 1105 Siebel Center, Mon/Wed/Fri 1-2 pm • Computer Labs: Burrill Hall 164D/E, Wed/Fri. 1-3:30 pm • Office hours: • Wed/Fri 4-5pm 3009/3011/3021 Beckman • Lab experts: • Mark Arcario, KeChen, Tao Jiang, Jonathan Lai, Jing Li • Grading • Attendance (distributed over the hours of labs and lectures) • Homework/assignments • Term Project

  3. Course Materials • Lectures in PDF: • Will be deposited in a web site: csbmb.beckman.illinois.edu/BIOP586C/ • Tutorials and files needed: • Will be installed on the lab machines; will be linked also from the course web page • Install VMD and NAMD on your own laptop/desktop for your term projects: MAC, PC, Linux: www.ks.uiuc.edu

  4. Overview of the Course • Introduction to Structural Biology • Visualization and basic structural analysis of biological macromolecules • Setup and basic analysis of molecular simulation methods • Advanced simulations and analysis, steered MD, targeted MD, … • Quantum mechanical treatments of molecular systems • Parameters and topology information • Bioinformatic analysis of molecular systems • Systems Biology • Simulating membrane channels and artificial model channels

  5. Some practical information for Friday • Burrill Hall Lab password: biop586 • Remember your desk • Remember the directory you are working in • Familiarize yourself with basic Unix and editor commands

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