Analysis Tools Repository

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This is intended to be the one-stop-shop for analysis tools and scripts for the lab.

See below for the intended list of things to be added (LastAdded: 01/07/2020 JDB)

MMGBSA - execution and analysis
Footprinting with amber
Multifootprint with dock
ACF - BASEM
Making 2D structures (JMOL, MarvinSketch)
Sequence alignments
Test set statistics
VS Protocol (small description, + GH link)
MOE inputs, descriptions, files, scripts?

Contents

1 Using this repository
- 1.1 What is here
- 1.2 How to update this repository
2 Analyses
- 2.1 RMSD - Molecular Dynamics
3 Experiments
- 3.1 Virtual Screening Protocol

Using this repository

What is here

How to update this repository

Analyses

RMSD - Molecular Dynamics

Experiments

Virtual Screening Protocol

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