Chapter title |
Computational Design of Ligand Binding Proteins
|
---|---|
Chapter number | 4 |
Book title |
Computational Design of Ligand Binding Proteins
|
Published in |
Methods in molecular biology, January 2016
|
DOI | 10.1007/978-1-4939-3569-7_4 |
Pubmed ID | |
Book ISBNs |
978-1-4939-3567-3, 978-1-4939-3569-7
|
Authors |
Moretti, Rocco, Bender, Brian J, Allison, Brittany, Meiler, Jens, Rocco Moretti, Brian J. Bender, Brittany Allison, Jens Meiler, Bender, Brian J. |
Editors |
Barry L. Stoddard |
Abstract |
Proteins that bind small molecules (ligands) can be used as biosensors, signal modulators, and sequestering agents. When naturally occurring proteins for a particular target ligand are not available, artificial proteins can be computationally designed. We present a protocol based on RosettaLigand to redesign an existing protein pocket to bind a target ligand. Starting with a protein structure and the structure of the ligand, Rosetta can optimize both the placement of the ligand in the pocket and the identity and conformation of the surrounding sidechains, yielding proteins that bind the target compound. |
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