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. 2021 Apr 28;8:669431. doi: 10.3389/fmolb.2021.669431

TABLE 3.

List of important in silico peptide modeling servers.

Type Brief description URL References
Hmmstr/Rosetta The HMMSTR/Rosetta Server predicts the structure of proteins from the sequence: secondary, local, supersecondary, and tertiary http://www.bioinfo.rpi.edu/~bystrc/hmmstr/about.html Bystroff et al., 2000; Bystroff and Shao, 2002
Protinfo Protinfo PPC is a web server that predicts atomic level structures of interacting proteins from their amino-acid sequences http://protinfo.compbio.washington.edu/ppc/ Hung et al., 2005; Kittichotirat et al., 2009
Pepstr This server predicts the tertiary structure of short peptides with sequence length varying between 7 to 25 residues http://www.imtech.res.in/raghava/pepstr/ Kaur et al., 2007
FlexPepDock The Rosetta FlexPepDock protocol for high-resolution docking of flexible peptides which mainly consists of two alternating modules that optimize the peptide backbone and rigid body orientation, respectively, using the Monte-Carlo with Minimization approach. http://flexpepdock.furmanlab.cs.huji.ac.il/ Raveh et al., 2010
PepLook Peplook server, an efficient tool to predict peptide conformation https://orbi.uliege.be/handle/2268/135016 Beaufays et al., 2012
PepSite This server is a tool for accurate prediction of peptide binding sites on protein surfaces http://pepsite2.russelllab.org Trabuco et al., 2012
Pep-Fold PEP-FOLD is a de novo approach aimed at predicting peptide structures from amino acid sequences. This method, based on structural alphabet letters https://bioserv.rpbs.univ-paris-diderot.fr/services/PEP-FOLD/ Maupetit et al., 2009; Thevenet et al., 2012
Pep-Fold3 PEP-FOLD3 latest evolution comes with a new 3D generation engine, based on a new Hidden Markov Model sub-optimal conformation sampling approach, faster by one order of magnitude than the previous greedy strategy, while not affecting performance https://bioserv.rpbs.univ-paris-diderot.fr/services/PEP-FOLD3/ Lamiable et al., 2016