Bioinformatics and Computational Biology

  1. Proteomics and Structural Bioinformatics
    1. Proteomics Fundamentals
      1. Mass Spectrometry Principles
        1. Ionization Methods
          1. Electrospray Ionization
            1. Matrix-Assisted Laser Desorption
            2. Mass Analyzers
              1. Time-of-Flight
                1. Quadrupole
                  1. Ion Trap
                    1. Orbitrap
                    2. Tandem Mass Spectrometry
                      1. Fragmentation Methods
                        1. MS/MS Spectra Interpretation
                      2. Protein Identification
                        1. Database Search Methods
                          1. Peptide Mass Fingerprinting
                            1. Sequence Database Searching
                              1. Mascot Algorithm
                                1. SEQUEST Algorithm
                                2. De Novo Sequencing
                                  1. Spectral Interpretation
                                    1. Sequence Reconstruction
                                    2. Spectral Library Searching
                                      1. Library Construction
                                        1. Spectral Matching
                                      2. Protein Quantification
                                        1. Label-Free Quantification
                                          1. Spectral Counting
                                            1. Peak Area Integration
                                              1. Ion Intensity Methods
                                              2. Stable Isotope Labeling
                                                1. SILAC Method
                                                  1. iTRAQ Labeling
                                                    1. TMT Labeling
                                                    2. Quantitative Analysis
                                                      1. Statistical Methods
                                                        1. Normalization Procedures
                                                          1. Differential Expression
                                                      2. Protein Structure Fundamentals
                                                        1. Structural Hierarchy
                                                          1. Primary Structure
                                                            1. Amino Acid Sequence
                                                              1. Peptide Bonds
                                                                1. Sequence-Structure Relationships
                                                                2. Secondary Structure
                                                                  1. Alpha Helices
                                                                    1. Helix Parameters
                                                                      1. Helix Stability
                                                                      2. Beta Sheets
                                                                        1. Parallel and Antiparallel
                                                                          1. Sheet Topology
                                                                          2. Loops and Turns
                                                                            1. Beta Turns
                                                                              1. Random Coils
                                                                            2. Tertiary Structure
                                                                              1. Protein Folds
                                                                                1. Structural Domains
                                                                                  1. Fold Families
                                                                                  2. Quaternary Structure
                                                                                    1. Protein Complexes
                                                                                      1. Subunit Interactions
                                                                                        1. Allosteric Regulation
                                                                                      2. Protein Structure Classification
                                                                                        1. SCOP Database
                                                                                          1. Hierarchical Classification
                                                                                            1. Fold Families
                                                                                            2. CATH Database
                                                                                              1. Class, Architecture, Topology, Homology
                                                                                                1. Domain Identification
                                                                                                2. Pfam Database
                                                                                                  1. Protein Families
                                                                                                    1. Domain Architecture
                                                                                                3. Protein Structure Prediction
                                                                                                  1. Template-Based Modeling
                                                                                                    1. Homology Modeling
                                                                                                      1. Template Selection
                                                                                                        1. Sequence-Structure Alignment
                                                                                                          1. Model Building
                                                                                                            1. Loop Modeling
                                                                                                              1. Model Validation
                                                                                                              2. Threading Methods
                                                                                                                1. Fold Recognition
                                                                                                                  1. Sequence-Structure Compatibility
                                                                                                                    1. Profile-Profile Alignment
                                                                                                                  2. Ab Initio Prediction
                                                                                                                    1. Physics-Based Methods
                                                                                                                      1. Energy Functions
                                                                                                                        1. Molecular Dynamics
                                                                                                                          1. Monte Carlo Sampling
                                                                                                                          2. Knowledge-Based Methods
                                                                                                                            1. Fragment Assembly
                                                                                                                              1. Statistical Potentials
                                                                                                                            2. Machine Learning Approaches
                                                                                                                              1. Deep Learning Methods
                                                                                                                                1. Convolutional Neural Networks
                                                                                                                                  1. Recurrent Neural Networks
                                                                                                                                    1. Attention Mechanisms
                                                                                                                                    2. AlphaFold System
                                                                                                                                      1. Architecture Overview
                                                                                                                                        1. Training Methodology
                                                                                                                                          1. Performance Assessment
                                                                                                                                        2. Structure Validation
                                                                                                                                          1. Stereochemical Quality
                                                                                                                                            1. Ramachandran Analysis
                                                                                                                                              1. Bond Length and Angles
                                                                                                                                                1. Clash Detection
                                                                                                                                                2. Model Accuracy Assessment
                                                                                                                                                  1. RMSD Calculations
                                                                                                                                                    1. GDT-TS Scores
                                                                                                                                                      1. Template Modeling Score
                                                                                                                                                  2. Protein Structure Analysis
                                                                                                                                                    1. Structure Comparison
                                                                                                                                                      1. Structural Alignment
                                                                                                                                                        1. Rigid Body Superposition
                                                                                                                                                          1. Flexible Alignment
                                                                                                                                                            1. Multiple Structure Alignment
                                                                                                                                                            2. Similarity Measures
                                                                                                                                                              1. RMSD Calculations
                                                                                                                                                                1. Template Modeling Score
                                                                                                                                                                  1. Contact Map Comparison
                                                                                                                                                                2. Structure Visualization
                                                                                                                                                                  1. Molecular Graphics
                                                                                                                                                                    1. Representation Methods
                                                                                                                                                                      1. Color Schemes
                                                                                                                                                                        1. Animation Techniques
                                                                                                                                                                        2. Visualization Software
                                                                                                                                                                          1. PyMOL
                                                                                                                                                                            1. ChimeraX
                                                                                                                                                                              1. VMD
                                                                                                                                                                            2. Structural Analysis Tools
                                                                                                                                                                              1. Cavity Detection
                                                                                                                                                                                1. Surface Analysis
                                                                                                                                                                                  1. Electrostatic Potential
                                                                                                                                                                                    1. Hydrogen Bonding Analysis
                                                                                                                                                                                  2. Molecular Interactions and Dynamics
                                                                                                                                                                                    1. Protein-Ligand Interactions
                                                                                                                                                                                      1. Binding Site Identification
                                                                                                                                                                                        1. Molecular Docking
                                                                                                                                                                                          1. Rigid Docking
                                                                                                                                                                                            1. Flexible Docking
                                                                                                                                                                                              1. Scoring Functions
                                                                                                                                                                                              2. Virtual Screening
                                                                                                                                                                                                1. Structure-Based Screening
                                                                                                                                                                                                  1. Ligand-Based Screening
                                                                                                                                                                                                    1. Pharmacophore Modeling
                                                                                                                                                                                                  2. Protein-Protein Interactions
                                                                                                                                                                                                    1. Interface Analysis
                                                                                                                                                                                                      1. Protein-Protein Docking
                                                                                                                                                                                                        1. Hot Spot Identification
                                                                                                                                                                                                          1. Binding Affinity Prediction
                                                                                                                                                                                                          2. Molecular Dynamics Simulations
                                                                                                                                                                                                            1. Force Field Methods
                                                                                                                                                                                                              1. Classical Force Fields
                                                                                                                                                                                                                1. Polarizable Force Fields
                                                                                                                                                                                                                  1. Quantum Mechanical Methods
                                                                                                                                                                                                                  2. Simulation Protocols
                                                                                                                                                                                                                    1. System Preparation
                                                                                                                                                                                                                      1. Equilibration Procedures
                                                                                                                                                                                                                        1. Production Runs
                                                                                                                                                                                                                        2. Analysis Methods
                                                                                                                                                                                                                          1. Trajectory Analysis
                                                                                                                                                                                                                            1. Free Energy Calculations
                                                                                                                                                                                                                              1. Conformational Sampling