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CHM4910

CURE class Presentation Files and Exercises.

These presentations and exercises are intended for students with no prior experience with UNIX and computational biology.

Week 1 (The Terminal)

  1. Introduction to Linux Shell
  2. Submitting jobs to HiPerGator

Week 2 (Introduction to AMBER)

Based on Chapter 1 of Zuckerman's Statistical Physics of Biomolecules. Available in UF library.

  1. Introduction to Molecular Mechanics

Week 3 (Amber Exercises)

  1. Preparing systems for MD simulations
  2. Project Ideas and Trajectory analysis

Week 4 (Structure Prediction using AI)

  1. AlphaFold2

Week 5 (De novo protein design)

  1. Protein Design using RFDiffusion

Week 6 (Sequence optimization using AI)

  1. Inverse Protein Folding with ProteinMPNN

Articles

https://www.dropbox.com/scl/fo/n466z2f5zlg1zypkfj3bt/AEsPNdLUlTbC1PeLGVeu8d4?rlkey=mqh5u4jp6p6j3fdeznvj206uw&st=js3f6pel&dl=0

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CURE class Tutorials

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