Lectures

Computational Biochemistry

Lectures (see also 'Course outline')

Quantum Chemistry

Potential Energy Surfaces: Lecture 1
Intro to Quantum Chemistry: Lecture 2 and Lecture 3
Hartree Fock Theory: Lecture 4 and Lecture 5
Post-Hartree Fock Methods & Density Function Method: Lecture 6
Hybrid Quantum/Mechanical Methods: Lecture 7

Molecular Dynamics Simulations

Introduction: Lectures 1 & 2

II.A. Selected Problems in Computational Biology

Protein Folding: Lectures 1 & 2
Protein Aggregation: Lectures 3 & 4
Protein Chaperones: Lecture 5
Protein Forced Unfolding: Lecture 6
Protein Forced Unbinding: Lecture 7

II.B. Protein Architecture

Sequence of Amino Acids: Lecture 1
Secondary and Tertiary Structure of Proteins: Lecture 2

II.C. Foundations of Biomolecular Simulations

Molecular Mechanics: Lecture 1
Force Field: Lecture 2
Non-bonded Interactions: Lecture 3 and Lecture 4
MD Integrators: Lecture 5
Molecular Dynamics Simulations: Lectures 6
Molecular Dynamics Project: Lectures 7
Langevin Dynamics: Lecture 8

Molecular Docking

Introduction to Molecular Docking: Lecture 1
Preparing Proteins & Ligands: Lecture 2
Docking Algorithms & Workflows: Lecture 3
Results Analysis & Beyond Docking: Lecture 4
Molecular Docking Project: Project

Statistical Learning

Introduction to Statistical Learning: Lecture 1
Linear Regression: Lecture 2
Classification: Lecture 3
Resampling Methods: Lecture 4
Linear Model Selection and Regularization: Lecture 5
Moving Beyond Linearity: Lecture 6
Support Vector Machines: Lecture 7
Tree Models: Lecture 8
Statistical Learning Project: Project