jfell13 Goto Github PK
Name: Jason Fell
Type: User
Bio: Computational organic chemist and structural bioinformatician.
Jason Fell's Projects
acbm_calculator
Repository for the ACBM Calculator
adventofcode
Practice repo for the Advent of code series
binder-example
This repo is meant to be an example for using binder.
conformer-analysis
This repository contains two python scripts for analyzing the free energies of conformers with density functional theory using Gaussian16.
d2d_calculator
furanoditerpenoid-biosynthesis-in-noncanonical-cytochrome-p450
This repository contains sample input files and scripts for generating homology models and ligand docking Rosetta simulations for the "Furanoditerpenoid biosynthesis in the bioenergy crop switchgrass is catalyzed by noncanonical cytochrome P450 functions" publication.
gaussian16
Sample submission scripts and python scripts to generate and analyze Gaussian16 files.
homology-modeling
For all scripts related to using RosettaCM homology modeling.
sample-data-analysis-tools
Jupyter notebooks to help with Rosetta data analysis. Other tools are included.
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