Table of ContentsMolecular Biophysics & Biochemistry 447b3 / 747b3 Bioinformatics Goal: Model Proteins and Nucleic Acids as Real Physical Molecules Overview: Methods for the Generation and Analysis of Macromolecular Simulations Potential Functions Minimization Molecular Dynamics Molecular Dynamics (cont) Phase Space Walk Example Phase Space Walk Monte Carlo Monte Carlo (cont) MC vs/+ MD Periodic Boundary Conditions Typical Systems: Water v. Argon Typical Systems: DNA + Water Typical Systems: Protein + Water Average over simulation Timescales D & RMS Number Density Number Density (cont) |
Author: Office97
Email: Mark.Gerstein@Yale.edu Home Page: http://bioinfo.mbb.yale.edu/course Other information: |