Literature DB >> 34107038

Voronoia 4-ever.

Rene Staritzbichler1, Nikola Ristic1, Andrean Goede2, Robert Preissner2,3, Peter W Hildebrand1,4,5.   

Abstract

We present an updated version of the Voronoia service that enables fully automated analysis of the atomic packing density of macromolecules. Voronoia combines previous efforts to analyse 3D protein and RNA structures into a single service, combined with state-of-the-art online visualization. Voronoia uses the Voronoi cell method to calculate the free space between neighbouring atoms to estimate van der Waals interactions. Compared to other methods that derive van der Waals interactions by calculating solvent-free surfaces, it explicitly considers volume or packing defects. Large internal voids refer either to water molecules or ions unresolved by X-ray crystallography or cryo-EM, cryptic ligand binding pockets, or parts of a structural model that require further refinement. Voronoia is, therefore mainly used for functional analyses of 3D structures and quality assessments of structural models. Voronoia 4-ever updates the database of precomputed packing densities of PDB entries, allows uploading multiple structures, adds new filter options and facilitates direct access to the results through intuitive display with the NGL viewer. Voronoia is available at: htttp://proteinformatics.org/voronoia.
© The Author(s) 2021. Published by Oxford University Press on behalf of Nucleic Acids Research.

Entities:  

Year:  2021        PMID: 34107038      PMCID: PMC8265189          DOI: 10.1093/nar/gkab466

Source DB:  PubMed          Journal:  Nucleic Acids Res        ISSN: 0305-1048            Impact factor:   16.971


  34 in total

1.  The packing density in proteins: standard radii and volumes.

Authors:  J Tsai; R Taylor; C Chothia; M Gerstein
Journal:  J Mol Biol       Date:  1999-07-02       Impact factor: 5.469

2.  Understanding membrane protein structure by design.

Authors:  J U Bowie
Journal:  Nat Struct Biol       Date:  2000-02

3.  Internal packing of helical membrane proteins.

Authors:  M Eilers; S C Shekar; T Shieh; S O Smith; P J Fleming
Journal:  Proc Natl Acad Sci U S A       Date:  2000-05-23       Impact factor: 11.205

4.  Calculation of standard atomic volumes for RNA and comparison with proteins: RNA is packed more tightly.

Authors:  N R Voss; M Gerstein
Journal:  J Mol Biol       Date:  2005-01-05       Impact factor: 5.469

5.  Intrinsic compressibility and volume compression in solvated proteins by molecular dynamics simulation at high pressure.

Authors:  E Paci; M Marchi
Journal:  Proc Natl Acad Sci U S A       Date:  1996-10-15       Impact factor: 11.205

6.  GPCRmd uncovers the dynamics of the 3D-GPCRome.

Authors:  Ismael Rodríguez-Espigares; Mariona Torrens-Fontanals; Johanna K S Tiemann; David Aranda-García; Juan Manuel Ramírez-Anguita; Tomasz Maciej Stepniewski; Nathalie Worp; Alejandro Varela-Rial; Adrián Morales-Pastor; Brian Medel-Lacruz; Gáspár Pándy-Szekeres; Eduardo Mayol; Toni Giorgino; Jens Carlsson; Xavier Deupi; Slawomir Filipek; Marta Filizola; José Carlos Gómez-Tamayo; Angel Gonzalez; Hugo Gutiérrez-de-Terán; Mireia Jiménez-Rosés; Willem Jespers; Jon Kapla; George Khelashvili; Peter Kolb; Dorota Latek; Maria Marti-Solano; Pierre Matricon; Minos-Timotheos Matsoukas; Przemyslaw Miszta; Mireia Olivella; Laura Perez-Benito; Davide Provasi; Santiago Ríos; Iván R Torrecillas; Jessica Sallander; Agnieszka Sztyler; Silvana Vasile; Harel Weinstein; Ulrich Zachariae; Peter W Hildebrand; Gianni De Fabritiis; Ferran Sanz; David E Gloriam; Arnau Cordomi; Ramon Guixà-González; Jana Selent
Journal:  Nat Methods       Date:  2020-07-13       Impact factor: 28.547

7.  Analysis of void volumes in proteins and application to stability of the p53 tumour suppressor protein.

Authors:  Alison L Cuff; Andrew C R Martin
Journal:  J Mol Biol       Date:  2004-12-10       Impact factor: 5.469

8.  Voronoia: analyzing packing in protein structures.

Authors:  Kristian Rother; Peter Werner Hildebrand; Andrean Goede; Bjoern Gruening; Robert Preissner
Journal:  Nucleic Acids Res       Date:  2008-10-23       Impact factor: 16.971

9.  CAVER: a new tool to explore routes from protein clefts, pockets and cavities.

Authors:  Martin Petrek; Michal Otyepka; Pavel Banás; Pavlína Kosinová; Jaroslav Koca; Jirí Damborský
Journal:  BMC Bioinformatics       Date:  2006-06-22       Impact factor: 3.169

10.  Structure-Based Stabilization of Non-native Protein-Protein Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug Design.

Authors:  Shan-Meng Lin; Shih-Chao Lin; Jia-Ning Hsu; Chung-Ke Chang; Ching-Ming Chien; Yong-Sheng Wang; Hung-Yi Wu; U-Ser Jeng; Kylene Kehn-Hall; Ming-Hon Hou
Journal:  J Med Chem       Date:  2020-03-11       Impact factor: 7.446

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