PEP-FOLD3: faster de novo structure prediction for linear peptides in solution and in complex
Délégation Paris 7 · Sorbonne Paris Cité · +4 more institutions
Abstract
Structure determination of linear peptides of 5-50 amino acids in aqueous solution and interacting with proteins is a key aspect in structural biology. PEP-FOLD3 is a novel computational framework, that allows both (i) de novo free or biased prediction for linear peptides between 5 and 50 amino acids, and (ii) the generation of native-like conformations of peptides interacting with a protein when the interaction site is known in advance. PEP-FOLD3 is fast, and usually returns solutions in a few minutes. Testing PEP-FOLD3 on 56 peptides in aqueous solution led to experimental-like conformations for 80% of the targets. Using a benchmark of 61 peptide-protein targets starting from the unbound form of the protein…
Citation impact
- FWCI
- 23.85
- Percentile
- 100%
- References
- 36
Authors
6- ALAlexis LamiableCorresponding
Délégation Paris 7, Sorbonne Paris Cité, Université Paris Cité, Inserm
- PTP. Thévenet
Université Paris Cité, Inserm, Sorbonne Paris Cité, Délégation Paris 7
- JRJulien Rey
Université Paris Cité, Délégation Paris 7
- MVMarek Vavruša
Délégation Paris 7, Université Paris Cité
- PDPhilippe Derreumaux
Laboratoire de Biochimie Théorique, Institut Universitaire de France
Topics & keywords
- Peptide
- Biology
- Amino acid
- Benchmark (surveying)
- Aqueous solution
- Protein structure
- Computational biology
- Biochemistry