title: NAFlex: a web server for the study of nucleic acid flexibility.
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.
authors.affiliation: Institute for Research in Biomedicine, Molecular Modelling and Bioinformatics Department, 08028, Barcelona, Spain.
authors.forename: Adam
authors.initials: A
authors.lastname: Hospital
authors.forename: Ignacio
authors.initials: I
authors.lastname: Faustino
authors.forename: Rosana
authors.initials: R
authors.lastname: Collepardo-Guevara
authors.forename: Carlos
authors.initials: C
authors.lastname: González
authors.forename: Josep Lluis
authors.initials: JL
authors.lastname: Gelpí
authors.forename: Modesto
authors.initials: M
authors.lastname: Orozco
mesh_terms: D004247:DNA / Q000737:chemistry; D004268:DNA-Binding Proteins / Q000737:chemistry; D006801:Humans; D020407:Internet; D024101:Mitochondrial Proteins / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D009690:Nucleic Acid Conformation; D017422:Sequence Analysis, DNA; D017423:Sequence Analysis, RNA; D012984:Software; D014157:Transcription Factors / Q000737:chemistry
chemical_list: D004268:DNA-Binding Proteins; D024101:Mitochondrial Proteins; D014157:Transcription Factors; C422562:mitochondrial transcription factor A; D004247:DNA