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NAFlex: a web server for the study of nucleic acid flexibility.

Published version
Peer-reviewed

Type

Article

Change log

Abstract

We present NAFlex, a new web tool to study the flexibility of nucleic acids, either isolated or bound to other molecules. The server allows the user to incorporate structures from protein data banks, completing gaps and removing structural inconsistencies. It is also possible to define canonical (average or sequence-adapted) nucleic acid structures using a variety of predefined internal libraries, as well to create specific nucleic acid conformations from the sequence. The server offers a variety of methods to explore nucleic acid flexibility, such as a colorless wormlike-chain model, a base-pair resolution mesoscopic model and atomistic molecular dynamics simulations with a wide variety of protocols and force fields. The trajectories obtained by simulations, or imported externally, can be visualized and analyzed using a large number of tools, including standard Cartesian analysis, essential dynamics, helical analysis, local and global stiffness, energy decomposition, principal components and in silico NMR spectra. The server is accessible free of charge from the mmb.irbbarcelona.org/NAFlex webpage.

Description

Keywords

DNA, DNA-Binding Proteins, Humans, Internet, Mitochondrial Proteins, Molecular Dynamics Simulation, Nucleic Acid Conformation, Sequence Analysis, DNA, Sequence Analysis, RNA, Software, Transcription Factors

Journal Title

Nucleic Acids Res

Conference Name

Journal ISSN

0305-1048
1362-4962

Volume Title

41

Publisher

Oxford University Press (OUP)