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CODES

IN-HOUSE SCRIPTS

• BOLAS Distribution Instructions
• KMC-TDGL Distribution Instructions
• EGFR Signaling Distribution Instructions
• Weighted Histogram Analysis Method (WHAM) Instructions

LEGACY CODES

• CHARMM: Molecular Modeling and Dynamics
• BOLAS: Rare event Sampling
• NAMD: Molecular Dynamics
• GAUSSIAN: Electronic Structure
• GAMESS-UK: Electronic Structure and Dynamics
• CPMD: Electronic Structure and Dynamics
• CP2K: Electronic Structure and Dynamics
• PAINT: Functional Genomics, Transcription factor profiling
• AUTODOCK: Molecular Docking
• Modeller: Structure Modeling and Refinement