Development of a Java Library for Protein Stability and Disorder Computations
| Autor: | Subrata Sinha, G.C. Hazarika, Bishwajit Bora |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
Java
Computer science Distributed computing disorder clusters Energy minimization Bioinformatics Active Site Prediction Structural Bioinformatics Domain (software engineering) Structural bioinformatics Protein structure Software Protein stability General Environmental Science computer.programming_language biology Disorder region business.industry Software development Active site A protein Structural biology biology.protein General Earth and Planetary Sciences business computer Structural Stability |
| Zdroj: | Procedia Computer Science. 70:265-273 |
| ISSN: | 1877-0509 |
| DOI: | 10.1016/j.procs.2015.10.086 |
| Popis: | Faster, reliable and accurate development is an important issue in any field of software development supported by extended language libraries. Structural bioinformatics software development faces tremendous challenges while developing software tools and utilities because such type of development needs strong knowledge on structural biology and programmers take tremendous pressure to write the code from scratch increasing the development time, cost of the software leading to overall TOC of software. Existing libraries Bio Java and MESHI lacks those functionalities which are most frequently expected by the developers of this domain like inbuilt functions to predict the total energy of a protein structure contributed by various bonds, to predict the structural stability of a protein based on torsion angles, finding disordered clusters and disorder regions from protein structure are few of them. In this paper an attempt has been made to develop a library pBio which can predict the structural stability of protein in terms of torsion angles. It can Calculate Phi/Psi angle for all residues, identifying disordered residues, disorder clusters, percentage of disordered residues, residues involving in various types of bonds, calculations of bond energy and such functionalities can be further used in the problems like active site prediction based on disorder regions, protein energy minimization. |
| Databáze: | OpenAIRE |
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