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Structure-based computational analysis of protein binding sites for function and druggability prediction

Paper ID Volume ID Publish Year Pages File Format Full-Text
23773 43472 2012 12 PDF Available
Title
Structure-based computational analysis of protein binding sites for function and druggability prediction
Abstract

Protein binding sites are the places where molecular interactions occur. Thus, the analysis of protein binding sites is of crucial importance to understand the biological processes proteins are involved in. Herein, we focus on the computational analysis of protein binding sites and present structure-based methods that enable function prediction for orphan proteins and prediction of target druggability. We present the general ideas behind these methods, with a special emphasis on the scopes and limitations of these methods and their validation. Additionally, we present some successful applications of computational binding site analysis to emphasize the practical importance of these methods for biotechnology/bioeconomy and drug discovery.

Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slideHighlights► Binding site analyses allow function de-orphanization and druggability prediction. ► We describe how to best characterize and compare protein binding sites. ► We summarize descriptors and methods for druggability prediction. ► Prospective applications of function and druggability prediction are presented. ► Scopes and limitations of structure-based analyses of binding sites are discussed.

Keywords
BSA, binding site analysis; BSC, binding site comparison; DP, druggability prediction; PPI, protein–protein interactionComputational analysis; Druggability; Protein binding sites; Protein function prediction; Protein structure
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Structure-based computational analysis of protein binding sites for function and druggability prediction
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Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Biotechnology - Volume 159, Issue 3, 15 June 2012, Pages 123–134
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us