Laboratory Notes

BioShell protocols

Clustering poses from ligand docking

Rosetta protocols

Preliminary information and input/output file processing
How to pick fragments for modeling with Rosetta
ab-initio and ab-relax protocols
Score patching
Docking ligands to P450 enzymes with RosettaScripts

Modeller protocols

Homology Modelling that includes ligands

notes on PyMOL

Loading input files
Selecting stuff
Hide & Show
Extract, copy or remove
Working with electron density
Miscellanea

notes on MD simulations with Gromacs

How to start an MD simulation
Monitoring the progress

Bioinformatic tools

Creating a blast database and running blast

Other notes

Notes on git
Running jobs on a cluster with PBS

Laboratory Notes

Index

Index

© Copyright D. Gront lab.

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