Protein-peptide docking: opportunities and challenges.
Sign Up to like & getrecommendations! Published in 2018 at "Drug discovery today"
DOI: 10.1016/j.drudis.2018.05.006
Abstract: Peptides have recently attracted much attention as promising drug candidates. Rational design of peptide-derived therapeutics usually requires structural characterization of the underlying protein-peptide interaction. Given that experimental characterization can be difficult, reliable computational tools are… read more here.
Keywords: drug; docking opportunities; opportunities challenges; peptide docking ... See more keywords
Improving Protein-Peptide Docking Results via Pose-Clustering and Rescoring with a Combined Knowledge-Based and MM-GBSA Scoring Function
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DOI: 10.1021/acs.jcim.0c00058
Abstract: Protein-peptide docking, which predicts the complex structure between a protein and a peptide, is a valuable computational tool in peptide therapeutics development and mechanistic investigation of peptides involved cellular processes. Although current peptide docking approaches… read more here.
Keywords: knowledge based; scoring function; post docking; peptide docking ... See more keywords
HPEPDOCK: a web server for blind peptide–protein docking based on a hierarchical algorithm
Sign Up to like & getrecommendations! Published in 2018 at "Nucleic Acids Research"
DOI: 10.1093/nar/gky357
Abstract: Abstract Protein–peptide interactions are crucial in many cellular functions. Therefore, determining the structure of protein–peptide complexes is important for understanding the molecular mechanism of related biological processes and developing peptide drugs. HPEPDOCK is a novel… read more here.
Keywords: protein; server blind; web server; hpepdock ... See more keywords