Download DefaultScriptsConfigFiles.class (Autmated Peptide Screening)

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Autmated Peptide Screening Overview

Screening peptides for MHC and/or MHC-T cell receptor affinity

Modified version of AutoGrow, autogrow.ucsd.edu/ , with a mutation script added in the class files, and a global change of the defined mutation point from Hydrogen atoms to Calphas, to allow placement of Amino Acids. Deposited are 3 versions, used for my PhD Thesis. These allow for mutation of short 2-15 amino acid peptides, and associated screening of these using AutoDock or AutoDock Vina, allowing for 8 CPU systems to screen 10K peptides a day or 1-2K with flexible residues added in. A detailed method for determining the peptide ligand for any sequenced and modeled T cell receptor will be published and link added at some point. These scripts are written quickly in a couple weeks to meet a task and could be re-written more eloquently. I may or may not work on this project again, the goal would be to introduce amino acids into any protein in openCL to allow automated design on GPU's.Limits-The standard PDB codes used slightly modified, proline not at angles, peptide shld be linear,

Additional Details for Autmated Peptide Screening

Programming Language

Java

Registered

2013-01-28

Last Updated

2016-08-12

Maintainers

stephanwatkins

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Autmated Peptide Screening

Screening peptides for MHC and/or MHC-T cell receptor affinity

Additional Details for Autmated Peptide Screening

Programming Language

Registered

Last Updated

Categories

Maintainers

Keep Me Updated!