PEP-FOLD: an updated de novo structure prediction server for both linear and disulfide bonded cyclic peptides
Open Access
- 11 May 2012
- journal article
- research article
- Published by Oxford University Press (OUP) in Nucleic Acids Research
- Vol. 40 (W1), W288-W293
- https://doi.org/10.1093/nar/gks419
Abstract
In the context of the renewed interest of peptides as therapeutics, it is important to have an on-line resource for 3D structure prediction of peptides with well-defined structures in aqueous solution. We present an updated version of PEP-FOLD allowing the treatment of both linear and disulphide bonded cyclic peptides with 9–36 amino acids. The server makes possible to define disulphide bonds and any residue–residue proximity under the guidance of the biologists. Using a benchmark of 34 cyclic peptides with one, two and three disulphide bonds, the best PEP-FOLD models deviate by an average RMS of 2.75 Å from the full NMR structures. Using a benchmark of 37 linear peptides, PEP-FOLD locates lowest-energy conformations deviating by 3 Å RMS from the NMR rigid cores. The evolution of PEP-FOLD comes as a new on-line service to supersede the previous server. The server is available at: http://bioserv.rpbs.univ-paris-diderot.fr/PEP-FOLD.Keywords
This publication has 35 references indexed in Scilit:
- Fast and accurate prediction of protein side-chain conformationsBioinformatics, 2011
- Rosetta FlexPepDock web server—high resolution modeling of peptide–protein interactionsNucleic Acids Research, 2011
- Swimming into peptidomimetic chemical space using pepMMsMIMICNucleic Acids Research, 2011
- APOLLO: a quality assessment service for single and multiple protein modelsBioinformatics, 2011
- An expanding universe of small proteinsCurrent Opinion in Microbiology, 2011
- PepX: a structural database of non-redundant protein–peptide complexesNucleic Acids Research, 2009
- Mobyle: a new full web bioinformatics frameworkBioinformatics, 2009
- PEP-FOLD: an online resource for de novo peptide structure predictionNucleic Acids Research, 2009
- I-TASSER server for protein 3D structure predictionBMC Bioinformatics, 2008
- Bhageerath: an energy based web enabled computer software suite for limiting the search space of tertiary structures of small globular proteinsNucleic Acids Research, 2006