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Meiler Lab Computational Chemical and Structural Biology |
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Teaching Resources
RESPONSIBLE CONDUCT IN RESEARCH
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| Peer Review of Papers and Proposals How to Prepare an Constructive, Fair, Unbiased, Effective Review |
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CHEM 337 - Computational Structural And Chemical Biology
Theoretical and practical aspects of protein sequence alignments,
secondary structure prediction, comparative modeling, protein-protein
and protein-ligand docking. Structure-based drug design, virtual
quantitative structure activity relations, cheminformatics, and
screening, pharmacophore mapping in therapeutic development.
This course includes a laboratory section.
Syllabus:
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| Lecture | Slides | Materials for lab following lecture
To decompress myfile.tgz, type tar -xzvf myfile.tgz from a linux terminal
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| 1: Course Overview and Introduction to Protein Structure | |||
| 2: Sequence-Sequence Alignment Methods | Intro to Linux: |
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| 3: Sequence Based Secondary Structure Prediction | |||
| 4: Protein Family Classification through Hidden Markov Models | Sequence-sequence alignment: Secondary structure prediction: Homework: |
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| 5: Fold Recognition & Sequence-Structure Alignment (Threading) | |||
| 6: Comparative Modelling and the Loop Closure Problem | Fold Recognition and Threading: |
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| 7: De-Novo Structure Prediction | |||
| 8: Modeling Protein Side Chains from Rotamer Libraries | Comparative Modelling/Loops: |
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| 9: Protein Structure Determination from Limited Experimental Datasets | |||
| 10: Protein Design | De Novo Structure Prediction: |
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| 10.5: Topic Overflow, Summary, First Exam Preparation | Rotamer Library: |
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| 11: Structure-Structure Alignment Techniques and Fold Classification | |||
| 12: Protein-Protein Docking | |||
| 13: Protein-Ligand Docking | Docking: |
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| 14: Structure-based Virtual Screening & Drug Design | |||
| 15: Constitution, Configuration, & Conformation | Structure-Based Virtual Screening: |
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| 16: Structure Generators | Ligand-Based Virtual Screening: |
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| 17: Molecular Descriptors | |||
| 18: QSAR, Ligand-based Virtual Screening, and Pharmacophore Mapping | Pharmacophore Mapping: |
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ORGANOCHEMICAL PATHWAYS
Michael Müller, Kerstin Gräbe, Jens Meiler
Organochemical Pathways is a systematic review on typical reactions in organic chemistry on a poster and as a program running on windows 95/98/NT
File and hi-resolution poster: pathways.zip 
Poster Screenshot
