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Computational molecular biophysics
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Courses
Computational molecular biophysics
Practical 01: Introduction to molecular dynamics simulations: simulation of argon
Practical 02: Introduction to protein simulation
Practical 03: Introduction to protein structure
Practical 04: Introduction to protein sequence retrieval and analysis
Practical 05: Introduction to protein structure prediction
Practical 06: Principal component analysis (PCA)
Practical 07: Simulation of a membrane protein
Practical 08: Continuum electrostatics of nano-sized molecules: the Poisson-Boltzmann equation
Practical 09: Markov state modeling
Practical 10: Introduction to Electronic Structure Calculations using GAMESS
Practical 11: Introduction to quantum mechanics / molecular mechanics (QM/MM) simulations
Practical 12: Free energy calculations
Practical 13: Computational Reaction Rate Theory
Practical 14: Free energy calculations from non-equilibrium dynamics
Practical Computer Work Part I: Introduction to protein simulation
Practical Computer Work Part II: Simulation of a Membrane Protein
Contents
A. Introduction
Practical 13: Computational Reaction Rate Theory
A. Introduction
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