This note explores the
concepts and algorithms that enable computational modeling of biological
molecules, in both theory and practice. Topics covered includes: The basics of
protein structure, Rosetta and structural modeling, Optimization techniques,
Analysis of protein structures and assessment of model quality, Full atom
refinement and side chain modeling, Hands-on: Side chain modeling, Homology
modelin, Protein-protein docking.
This note explores the
concepts and algorithms that enable computational modeling of biological
molecules, in both theory and practice. Topics covered includes: The basics of
protein structure, Rosetta and structural modeling, Optimization techniques,
Analysis of protein structures and assessment of model quality, Full atom
refinement and side chain modeling, Hands-on: Side chain modeling, Homology
modelin, Protein-protein docking.
This book combines a
general overview of diffraction methods with a step-by-step description of the
process of a single-crystal X-ray structure determination experiment, from
chemical synthesis or expression to phasing and refinement, analysis and quality
control . Topics covered includes: Major techniques in structural biology, X-ray
fiber diffraction, Electron diffraction, Electron microscopy, Neutron
diffraction, Nuclear magnetic resonance spectroscopy, Single crystal X-ray
crystallography.