计算机科学
肽
接口(物质)
Web服务器
氨基酸
多样性(控制论)
理论(学习稳定性)
用户界面
等电点
生物系统
数据挖掘
化学
组合化学
图形用户界面
化学数据库
等电聚焦
软件
算法
R包
作者
Andrey I. Frolov,Justin Morley,Ana Gomes dos Santos,Sivaneswary Genapathy,Gian Marco Ghiandoni
标识
DOI:10.1021/acs.jcim.5c02296
摘要
Peptides play an increasingly important role in medicine and materials science. Accurate estimation of peptide physicochemical parameters is essential for their design, purification, and analysis. In this manuscript, we present Peptide-Tools, a freely accessible web server with an intuitive user interface for calculating isoelectric points and evaluating common chemical stability liabilities in both natural and modified peptides. Peptide-Tools accommodates a variety of input formats and can account for the ionization states of noncanonical amino acids and other molecular fragments. The platform also computes peptide extinction coefficients at three wavelengths (205, 214, and 280 nm), with this functionality currently available only for canonical amino acids. The server relies on a command-line tool that can be installed locally. We anticipate that Peptide-Tools will streamline peptide optimization and support routine tasks in chemical and analytical laboratories.
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