TY - JOUR
T1 - ClusPro PeptiDock
T2 - Efficient global docking of peptide recognition motifs using FFT
AU - Porter, Kathryn A.
AU - Xia, Bing
AU - Beglov, Dmitri
AU - Bohnuud, Tanggis
AU - Alam, Nawsad
AU - Schueler-Furman, Ora
AU - Kozakov, Dima
N1 - Publisher Copyright:
© The Author 2017. Published by Oxford University Press. All rights reserved.
PY - 2017/10/15
Y1 - 2017/10/15
N2 - Summary We present an approach for the efficient docking of peptide motifs to their free receptor structures. Using a motif based search, we can retrieve structural fragments from the Protein Data Bank (PDB) that are very similar to the peptide's final, bound conformation. We use a Fast Fourier Transform (FFT) based docking method to quickly perform global rigid body docking of these fragments to the receptor. According to CAPRI peptide docking criteria, an acceptable conformation can often be found among the top-ranking predictions. Availability and Implementation The method is available as part of the protein-protein docking server ClusPro at https://peptidock.cluspro.org/nousername.php. Contact [email protected] or [email protected] Supplementary informationSupplementary dataare available at Bioinformatics online.
AB - Summary We present an approach for the efficient docking of peptide motifs to their free receptor structures. Using a motif based search, we can retrieve structural fragments from the Protein Data Bank (PDB) that are very similar to the peptide's final, bound conformation. We use a Fast Fourier Transform (FFT) based docking method to quickly perform global rigid body docking of these fragments to the receptor. According to CAPRI peptide docking criteria, an acceptable conformation can often be found among the top-ranking predictions. Availability and Implementation The method is available as part of the protein-protein docking server ClusPro at https://peptidock.cluspro.org/nousername.php. Contact [email protected] or [email protected] Supplementary informationSupplementary dataare available at Bioinformatics online.
UR - http://www.scopus.com/inward/record.url?scp=85031803121&partnerID=8YFLogxK
U2 - 10.1093/bioinformatics/btx216
DO - 10.1093/bioinformatics/btx216
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C2 - 28430871
AN - SCOPUS:85031803121
SN - 1367-4803
VL - 33
SP - 3299
EP - 3301
JO - Bioinformatics
JF - Bioinformatics
IS - 20
ER -