Biomolecular electrostatics: supplementary material

NBCR Summer Workshop

This material prepared by Nathan Baker (group home page, e-mail) and is for educational purposes. Please do not redistribute without permission.

Materials for workshop

1. Lecture notes
   • PDF: optimized (6 MB), full (19 MB)
   • Quicktime (3.2 MB)
2. APBS software tutorial (HTML)
3. pK_a calculation "lab" (HTML)

Other materials

• APBS user guide (HTML)
• APBS home page (web)
• APBS test cases and examples (directory)
• Crown ether binding energy calculations -- explicit/implicit solvent comparison. Requires AMBER for full lab. (HTML)
• MM/PBSA drug-protein binding energy calculations. Requires GROMACS for full lab. (HTML)