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Information for regarding components used in modelling electrostatic interactions of proteins with CNTs

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Name		Name	Last commit message	Last commit date
Latest commit History 9 Commits
ESP		ESP
HREX		HREX
Modelling Data		Modelling Data
Rotamer analysis		Rotamer analysis
Structure files		Structure files
README.md		README.md
Structures		Structures

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CNT-electrostatic-modelling

Information for regarding components used in modelling electrostatic interactions of proteins with CNTs. This contains files related to

Rotamer analysis: modified forcefield components for AzF,starting models for the rotarmer analysis

Electrostatic potential analysis HREX: amber forcefield, BLIP41azF and BLIP213azF files

Electrostatic potential analysis ESP: BLIP41azF and BLIP213azF files

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Information for regarding components used in modelling electrostatic interactions of proteins with CNTs

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