Literature DB >> 32269383

The HDOCK server for integrated protein-protein docking.

Yumeng Yan1, Huanyu Tao1, Jiahua He1, Sheng-You Huang2.   

Abstract

The HDOCK server (http://hdock.phys.hust.edu.cn/) is a highly integrated suite of homology search, template-based modeling, structure prediction, macromolecular docking, biological information incorporation and job management for robust and fast protein-protein docking. With input information for receptor and ligand molecules (either amino acid sequences or Protein Data Bank structures), the server automatically predicts their interaction through a hybrid algorithm of template-based and template-free docking. The HDOCK server distinguishes itself from similar docking servers in its ability to support amino acid sequences as input and a hybrid docking strategy in which experimental information about the protein-protein binding site and small-angle X-ray scattering can be incorporated during the docking and post-docking processes. Moreover, HDOCK also supports protein-RNA/DNA docking with an intrinsic scoring function. The server delivers both template- and docking-based binding models of two molecules and allows for download and interactive visualization. The HDOCK server is user friendly and has processed >30,000 docking jobs since its official release in 2017. The server can normally complete a docking job within 30 min.

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Year:  2020        PMID: 32269383     DOI: 10.1038/s41596-020-0312-x

Source DB:  PubMed          Journal:  Nat Protoc        ISSN: 1750-2799            Impact factor:   13.491


  93 in total

1.  The Protein Data Bank.

Authors:  H M Berman; J Westbrook; Z Feng; G Gilliland; T N Bhat; H Weissig; I N Shindyalov; P E Bourne
Journal:  Nucleic Acids Res       Date:  2000-01-01       Impact factor: 16.971

2.  HADDOCK: a protein-protein docking approach based on biochemical or biophysical information.

Authors:  Cyril Dominguez; Rolf Boelens; Alexandre M J J Bonvin
Journal:  J Am Chem Soc       Date:  2003-02-19       Impact factor: 15.419

3.  Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniques.

Authors:  E Katchalski-Katzir; I Shariv; M Eisenstein; A A Friesem; C Aflalo; I A Vakser
Journal:  Proc Natl Acad Sci U S A       Date:  1992-03-15       Impact factor: 11.205

4.  The HADDOCK web server for data-driven biomolecular docking.

Authors:  Sjoerd J de Vries; Marc van Dijk; Alexandre M J J Bonvin
Journal:  Nat Protoc       Date:  2010-04-15       Impact factor: 13.491

Review 5.  Sampling and scoring: a marriage made in heaven.

Authors:  Sandor Vajda; David R Hall; Dima Kozakov
Journal:  Proteins       Date:  2013-08-19

6.  Modelling protein docking using shape complementarity, electrostatics and biochemical information.

Authors:  H A Gabb; R M Jackson; M J Sternberg
Journal:  J Mol Biol       Date:  1997-09-12       Impact factor: 5.469

Review 7.  Protein-protein docking: from interaction to interactome.

Authors:  Ilya A Vakser
Journal:  Biophys J       Date:  2014-10-21       Impact factor: 4.033

Review 8.  Exploring the potential of global protein-protein docking: an overview and critical assessment of current programs for automatic ab initio docking.

Authors:  Sheng-You Huang
Journal:  Drug Discov Today       Date:  2015-03-20       Impact factor: 7.851

9.  Search strategies and evaluation in protein-protein docking: principles, advances and challenges.

Authors:  Sheng-You Huang
Journal:  Drug Discov Today       Date:  2014-03-02       Impact factor: 7.851

10.  Computer analysis of protein-protein interaction.

Authors:  S J Wodak; J Janin
Journal:  J Mol Biol       Date:  1978-09-15       Impact factor: 5.469

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  128 in total

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Authors:  David E Gordon; Joseph Hiatt; Mehdi Bouhaddou; Veronica V Rezelj; Svenja Ulferts; Hannes Braberg; Alexander S Jureka; Kirsten Obernier; Jeffrey Z Guo; Jyoti Batra; Robyn M Kaake; Andrew R Weckstein; Tristan W Owens; Meghna Gupta; Sergei Pourmal; Erron W Titus; Merve Cakir; Margaret Soucheray; Michael McGregor; Zeynep Cakir; Gwendolyn Jang; Matthew J O'Meara; Tia A Tummino; Ziyang Zhang; Helene Foussard; Ajda Rojc; Yuan Zhou; Dmitry Kuchenov; Ruth Hüttenhain; Jiewei Xu; Manon Eckhardt; Danielle L Swaney; Jacqueline M Fabius; Manisha Ummadi; Beril Tutuncuoglu; Ujjwal Rathore; Maya Modak; Paige Haas; Kelsey M Haas; Zun Zar Chi Naing; Ernst H Pulido; Ying Shi; Inigo Barrio-Hernandez; Danish Memon; Eirini Petsalaki; Alistair Dunham; Miguel Correa Marrero; David Burke; Cassandra Koh; Thomas Vallet; Jesus A Silvas; Caleigh M Azumaya; Christian Billesbølle; Axel F Brilot; Melody G Campbell; Amy Diallo; Miles Sasha Dickinson; Devan Diwanji; Nadia Herrera; Nick Hoppe; Huong T Kratochvil; Yanxin Liu; Gregory E Merz; Michelle Moritz; Henry C Nguyen; Carlos Nowotny; Cristina Puchades; Alexandrea N Rizo; Ursula Schulze-Gahmen; Amber M Smith; Ming Sun; Iris D Young; Jianhua Zhao; Daniel Asarnow; Justin Biel; Alisa Bowen; Julian R Braxton; Jen Chen; Cynthia M Chio; Un Seng Chio; Ishan Deshpande; Loan Doan; Bryan Faust; Sebastian Flores; Mingliang Jin; Kate Kim; Victor L Lam; Fei Li; Junrui Li; Yen-Li Li; Yang Li; Xi Liu; Megan Lo; Kyle E Lopez; Arthur A Melo; Frank R Moss; Phuong Nguyen; Joana Paulino; Komal Ishwar Pawar; Jessica K Peters; Thomas H Pospiech; Maliheh Safari; Smriti Sangwan; Kaitlin Schaefer; Paul V Thomas; Aye C Thwin; Raphael Trenker; Eric Tse; Tsz Kin Martin Tsui; Feng Wang; Natalie Whitis; Zanlin Yu; Kaihua Zhang; Yang Zhang; Fengbo Zhou; Daniel Saltzberg; Anthony J Hodder; Amber S Shun-Shion; Daniel M Williams; Kris M White; Romel Rosales; Thomas Kehrer; Lisa Miorin; Elena Moreno; Arvind H Patel; Suzannah Rihn; Mir M Khalid; Albert Vallejo-Gracia; Parinaz Fozouni; Camille R Simoneau; Theodore L Roth; David Wu; Mohd Anisul Karim; Maya Ghoussaini; Ian Dunham; Francesco Berardi; Sebastian Weigang; Maxime Chazal; Jisoo Park; James Logue; Marisa McGrath; Stuart Weston; Robert Haupt; C James Hastie; Matthew Elliott; Fiona Brown; Kerry A Burness; Elaine Reid; Mark Dorward; Clare Johnson; Stuart G Wilkinson; Anna Geyer; Daniel M Giesel; Carla Baillie; Samantha Raggett; Hannah Leech; Rachel Toth; Nicola Goodman; Kathleen C Keough; Abigail L Lind; Reyna J Klesh; Kafi R Hemphill; Jared Carlson-Stevermer; Jennifer Oki; Kevin Holden; Travis Maures; Katherine S Pollard; Andrej Sali; David A Agard; Yifan Cheng; James S Fraser; Adam Frost; Natalia Jura; Tanja Kortemme; Aashish Manglik; Daniel R Southworth; Robert M Stroud; Dario R Alessi; Paul Davies; Matthew B Frieman; Trey Ideker; Carmen Abate; Nolwenn Jouvenet; Georg Kochs; Brian Shoichet; Melanie Ott; Massimo Palmarini; Kevan M Shokat; Adolfo García-Sastre; Jeremy A Rassen; Robert Grosse; Oren S Rosenberg; Kliment A Verba; Christopher F Basler; Marco Vignuzzi; Andrew A Peden; Pedro Beltrao; Nevan J Krogan
Journal:  Science       Date:  2020-10-15       Impact factor: 47.728

5.  Protein Interaction Interface Region Prediction by Geometric Deep Learning.

Authors:  Bowen Dai; Chris Bailey-Kellogg
Journal:  Bioinformatics       Date:  2021-03-06       Impact factor: 6.937

6.  Mutation Signatures and In Silico Docking of Novel SARS-CoV-2 Variants of Concern.

Authors:  Nariman Shahhosseini; George Giorgi Babuadze; Gary Wong; Gary P Kobinger
Journal:  Microorganisms       Date:  2021-04-26

Review 7.  Toward an Understanding of the Structural and Mechanistic Aspects of Protein-Protein Interactions in 2-Oxoacid Dehydrogenase Complexes.

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8.  The AraC-Type Transcriptional Regulator GliR (PA3027) Activates Genes of Glycerolipid Metabolism in Pseudomonas aeruginosa.

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9.  Structural Analysis of the Novel Variants of SARS-CoV-2 and Forecasting in North America.

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10.  In silico Design of Linear DNA for Robust Cell-Free Gene Expression.

Authors:  Xinjie Chen; Yuan Lu
Journal:  Front Bioeng Biotechnol       Date:  2021-05-18
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