TABLE OF CONTENTS

1: DEFINING BIOINFORMATICS AND STRUCTURAL BIOINFORMATICS

2: FUNDAMENTALS OF PROTEIN STRUCTURE

3: FUNDAMENTALS OF DNA AND RNA STRUCTURE

4: COMPUTATIONAL ASPECTS OF HIGH-THROUGHPUT CRYSTALLOGRAPHIC MACROMOLECULAR STRUCTURE

5: MACROMOLECULAR STRUCTURE DETERMINATION BY NMR SPECTROSCOPY

6: ELECTRON MICROSCOPY IN THE CONTEXT OF STRUCTURAL SYSTEMS BIOLOGY

7: STUDY OF PROTEIN THREE-DIMENSIONAL STRUCTURE AND DYNAMICS USING PEPTIDE AMIDE

8: SEARCH AND SAMPLING IN STRUCTURAL BIOINFORMATICS

9: MOLECULAR VISUALIZATION

10: THE PDB FORMAT, mmCIF FORMATS, AND OTHER DATA FORMATS

11: THE WORLDWIDE PROTEIN DATA BANK

12: THE NUCLEIC ACID DATABASE

13: OTHER STRUCTURE-BASED DATABASES

14: STRUCTURAL QUALITY ASSURANCE

15: THE IMPACT OF LOCAL ACCURACY IN PROTEIN AND RNA STRUCTURES: VALIDATION AS AN ACTIVE

16: STRUCTURE COMPARISON AND ALIGNMENT

17: PROTEIN STRUCTURE EVOLUTION AND THE SCOP DATABASE

18: THE CATH DOMAIN STRUCTURE DATABASE

19: SECONDARY STRUCTURE ASSIGNMENT

20: IDENTIFYING STRUCTURAL DOMAINS IN PROTEINS

21: INFERRING PROTEIN FUNCTION FROM STRUCTURE

22: STRUCTURAL ANNOTATION OF GENOMES

23: EVOLUTION STUDIED USING PROTEIN STRUCTURE

24: ELECTROSTATIC INTERACTIONS

25: PREDICTION OF PROTEIN-NUCLEIC ACID INTERACTIONS

26: PREDICTION OF PROTEIN-PROTEIN INTERACTIONS FROM EVOLUTIONARY INFORMATION

27: DOCKING METHODS, LIGAND DESIGN, AND VALIDATING DATA SETS IN THE STRUCTURAL GENOMICS

28: CASP AND OTHER COMMUNITY-WIDE ASSESSMENTS TO ADVANCE THE FIELD OF STRUCTURE

29: PREDICTION OF PROTEIN STRUCTURE IN 1D: SECONDARY STRUCTURE, MEMBRANE REGIONS, AND

30: HOMOLOGY MODELING

31: FOLD RECOGNITION METHODS

32: DENOVO PROTEIN STRUCTURE PREDICTION: METHODS AND

33: RNA STRUCTURAL BIOINFORMATICS

34: STRUCTURAL BIOINFORMATICS IN DRUG DISCOVERY

35: B-CELL EPITOPE PREDICTION

36: METHODS TO CLASSIFY AND PREDICT THE STRUCTURE OF MEMBRANE PROTEINS

37: PROTEIN MOTION: SIMULATION

38: THE SIGNIFICANCE AND IMPACTS OF PROTEIN DISORDER AND CONFORMATIONAL VARIANTS

39: PROTEIN DESIGNABILITY AND ENGINEERING

40: STRUCTURAL GENOMICS OF PROTEIN SUPERFAMILIES