Structural Bioinformatics

ENG BE 760

Principles and significance of protein structure. Protein domains and folds. Functional classification of proteins. Functional and structural annotation. Molecular modeling and simulation methods. Structure validation and refinement. Assignment of structure to genome sequences by homology modeling and fold recognition. The role of structure in functional annotation. Protein families and folds in genomes. Annotation from protein interactions. Interactions between proteins and small molecules. Structure-based drug design. Quantitative Structure-Affinity Relationships (QSAR) and the estimation of affinities. Chemoinformatics, molecular diversity, and combinatorial library design, DNA structure, protein-DNA interactions, and recognition sites. Binding of sall molecules to DNA, RNA structure prediction.

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