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CycloPs : generating virtual libraries of cyclized and constrained peptides including nonnatural amino acids
Date Issued
2011-03-24
Date Available
2011-06-28T13:33:56Z
Abstract
We introduce CycloPs, software for the generation of virtual libraries of
constrained peptides including natural and nonnatural commercially available amino acids.
The software is written in the cross-platform Python programming language, and features include
generating virtual libraries in one-dimensional SMILES and three-dimensional SDF formats,
suitable for virtual screening. The stand-alone software is capable of filtering the virtual libraries
using empirical measurements, including peptide synthesizability by standard peptide synthesis
techniques, stability, and the druglike properties of the peptide. The software and accompanying
Web interface is designed to enable the rapid generation of large, structurally diverse,
synthesizable virtual libraries of constrained peptides quickly and conveniently, for use in virtual
screening experiments. The stand-alone software, and the Web interface for evaluating these empirical properties of a single peptide,
are available at http://bioware.ucd.ie.
Sponsorship
Science Foundation Ireland
Type of Material
Journal Article
Publisher
ACS Publications
Journal
Journal of Chemical Information and Modelling
Volume
51
Issue
4
Start Page
829
End Page
836
Copyright (Published Version)
2011 American Chemical Society
Keywords
Subject – LCSH
Peptides--Electronic information resources
Peptides--Software
Digital libraries--Software
Web versions
Language
English
Status of Item
Peer reviewed
ISSN
1549-9596 (print)
This item is made available under a Creative Commons License
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