Path B: Enzyme Engineering#
Modules 21 to 54.
- Path B - Module 21: Surgical Extraction & Deletion
- Path B - Module 22: Structural Auditing (Diagnostics)
- Path B - Module 23: Structural Repair & Mutagenesis
- Path B - Module 24: Peptide Synthesis
- Path B - Module 25: Solvation & Ion Engineering
- Path B - Module 26: Attribute Engineering (Patching)
- Path B - Module 27: Conformational Engineering
- Path B - Module 28: The MolSysBuilder API
- Path B - Module 29: PDB Bioassemblies & AltLocs
- Path B - Module 30: Geometrical Measurements
- Path B - Module 31: Proximity & Neighborhoods
- Path B - Module 32: Visualizing Interaction Matrices
- Path B - Module 33: Ensemble Descriptors (Global Metrics)
- Path B - Module 34: Comparison & Superposition
- Path B - Module 35: Principal Components (PCA) & Axes
- Path B - Module 36: Secondary Structure & Folds
- Path B - Module 37: Hydrogen Bonds & Salt Bridges
- Path B - Module 38: Advanced H-Bond Algorithms
- Path B - Module 39: Physicochemical Properties
- Path B - Module 40: PBC Geometry & Conventions
- Path B - Module 41: Wrapping & Unwrapping
- Path B - Module 42: Molecular Mechanics (Energies)
- Path B - Module 43: Energy Minimization
- Path B - Module 44: AMBER TLeap Integration
- Path B - Module 45: OpenMM Integration
- Path B - Module 46: Geometric Transformations (Space)
- Path B - Module 47: Trajectory Management (Slicing)
- Path B - Module 48: Scalability & Heavy Trajectories
- Path B - Module 49: Performance Optimization
- Path B - Module 50: Virtual Forms & Memory I/O
- Path B - Module 51: Writing Your Own Form-Agnostic Functions
- Path B - Module 52: Framework Reliability & SMonitor
- Path B - Module 53: Capability Matrix & Config
- Path B - Module 54: Final Project: Rational Enzyme Engineering