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MollDE:一个你可以点击操作的同源建模框架。

MollDE: a homology modeling framework you can click with.

作者信息

Canutescu Adrian A, Dunbrack Roland L

机构信息

Institute for Cancer Research, Fox Chase Cancer Center, 333 Cottman Avenue, Philadelphia, PA 19111, USA.

出版信息

Bioinformatics. 2005 Jun 15;21(12):2914-6. doi: 10.1093/bioinformatics/bti438. Epub 2005 Apr 21.

Abstract

UNLABELLED

Molecular Integrated Development Environment (MolIDE) is an integrated application designed to provide homology modeling tools and protocols under a uniform, user-friendly graphical interface. Its main purpose is to combine the most frequent modeling steps in a semi-automatic, interactive way, guiding the user from the target protein sequence to the final three-dimensional protein structure. The typical basic homology modeling process is composed of building sequence profiles of the target sequence family, secondary structure prediction, sequence alignment with PDB structures, assisted alignment editing, side-chain prediction and loop building. All of these steps are available through a graphical user interface. MolIDE's user-friendly and streamlined interactive modeling protocol allows the user to focus on the important modeling questions, hiding from the user the raw data generation and conversion steps. MolIDE was designed from the ground up as an open-source, cross-platform, extensible framework. This allows developers to integrate additional third-party programs to MolIDE.

AVAILABILITY

http://dunbrack.fccc.edu/molide/molide.php

CONTACT

rl_dunbrack@fccc.edu.

摘要

未标注

分子集成开发环境(MolIDE)是一款集成应用程序,旨在通过统一、用户友好的图形界面提供同源建模工具和协议。其主要目的是以半自动、交互式方式组合最常见的建模步骤,引导用户从目标蛋白质序列获得最终的三维蛋白质结构。典型的基本同源建模过程包括构建目标序列家族的序列概况、二级结构预测、与PDB结构进行序列比对、辅助比对编辑、侧链预测和环区构建。所有这些步骤都可通过图形用户界面实现。MolIDE用户友好且精简的交互式建模协议让用户能够专注于重要的建模问题,向用户隐藏原始数据生成和转换步骤。MolIDE从一开始就被设计为一个开源、跨平台、可扩展的框架。这使得开发者能够将其他第三方程序集成到MolIDE中。

可用性

http://dunbrack.fccc.edu/molide/molide.php

联系方式

rl_dunbrack@fccc.edu

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