Drug Discovery, Metabolism & Delivery (SCE3142), 2007 |
Lecture, 10.09.2007 | Basic Principles of Molecular Modelling |
| Downloads: Handout |
Lecture, 13.09.2007 | Basic Applications of Molecular Modelling |
Structural Chemistry Computing, 2007 |
Session 01, 24.05.2007 | UNIX Shell Commands |
Session 02, 14.06.2007 | Manipulation of Structured Data with 'awk' |
| Downloads: AWK Quick Reference, 2pdb.sh |
Session 03, 05.07.2007 | Molecule superposition with Uppsala software ('lsqman') |
| Downloads: Rotation in 3D, Root Mean Square Deviation, LSQMAN Quick Reference |
Session 04, 26.07.2007 | Shell Programming: Molecule Superposition with Uppsala Software ('lsqman', 'moleman') |
| Downloads: MOLEMAN Quick Reference, superpos.sh |
Session 05, 16.08.2007 | Structural alignment with 'lsqman' |
| Downloads: Alignment methods in LSQMAN, New superposition script, Assessment of superposition (script) |
Session 06, 06.09.2007 | Structure Visualisation with 'PyMOL' |
| Downloads: PyMol Tutorial |
Session 07, 20.09.2007 | The Linux environment in Structural Chemistry |
Session 08, 11.10.2007 | UNIX shell commands |
Session 09, 25.10.2007 | Introduction to 'Sybyl' |
| Downloads: Sybyl Basics |
Session 10, 15.11.2007 | Structure visualisation with AstexViewer and RasMol |
Session 11, 22.11.2007 | Space group determination |
| Downloads: Slides, Homework |
Session 12, 29.11.2007 | Space Group Determination |
| Downloads: Slides |
Session 13, 06.12.2007 | Space Group Determination with Mosflm |
Session 14, 13.12.2007 | Space group determination |
Session 15, 20.12.2007 | Protein homology modelling |
Structural Chemistry Methods, 2007 |
Session 01, 07.09.2007 | Crystallography I: Introduction to Symmetry |
| Downloads: Slides |
Session 02, 14.09.2007 | Spectroscopy I: CD Spectroscopy |
| Downloads: Slides |
Session 03, 21.09.2007 | Crystallography II: Translational Symmetry Elements, Coordinate Systems, and Symmetry Calculations |
| Downloads: Slides |
Session 04, 12.10.2007 | Subcloning of protein constructs |
Session 05, 26.10.2007 | Biochemical buffers |
| Downloads: Slides |
Session 06, 16.11.2007 | Crystallography III: Point Groups (Crystal Classes), Bravais Lattice, and Space Groups |
| Downloads: Slides |
Session 07, 23.11.2007 | Crystallography IV: X-rays, Diffraction, Bragg92s Law, and the Reciprocal Lattice |
| Downloads: Slides |
Session 08, 30.11.2007 | Crystallography V: Ewald Sphere, Structure Factor Equation |
| Downloads: Slides |
Session 09, 07.12.2007 | Crystallography VI: Intensities of Reflections, Electron Density |
| Downloads: Slides |