Literature DB >> 24123140

Performance of ZDOCK in CAPRI rounds 20-26.

Thom Vreven1, Brian G Pierce, Howook Hwang, Zhiping Weng.   

Abstract

We report the performance of our approaches for protein-protein docking and interface analysis in CAPRI rounds 20-26. At the core of our pipeline was the ZDOCK program for rigid-body protein-protein docking. We then reranked the ZDOCK predictions using the ZRANK or IRAD scoring functions, pruned and analyzed energy landscapes using clustering, and analyzed the docking results using our interface prediction approach RCF. When possible, we used biological information from the literature to apply constraints to the search space during or after the ZDOCK runs. For approximately half of the standard docking challenges we made at least one prediction that was acceptable or better. For the scoring challenges we made acceptable or better predictions for all but one target. This indicates that our scoring functions are generally able to select the correct binding mode.
Copyright © 2013 Wiley Periodicals, Inc., a Wiley company.

Entities:  

Keywords:  Complexes; IRAD; Protein-protein docking; Protein-protein interaction; ZRANK

Mesh:

Substances:

Year:  2013        PMID: 24123140      PMCID: PMC3975700          DOI: 10.1002/prot.24432

Source DB:  PubMed          Journal:  Proteins        ISSN: 0887-3585


  49 in total

1.  Prediction of protein-protein binding free energies.

Authors:  Thom Vreven; Howook Hwang; Brian G Pierce; Zhiping Weng
Journal:  Protein Sci       Date:  2012-02-02       Impact factor: 6.725

2.  A structure-based benchmark for protein-protein binding affinity.

Authors:  Panagiotis L Kastritis; Iain H Moal; Howook Hwang; Zhiping Weng; Paul A Bates; Alexandre M J J Bonvin; Joël Janin
Journal:  Protein Sci       Date:  2011-02-16       Impact factor: 6.725

3.  Community-wide assessment of protein-interface modeling suggests improvements to design methodology.

Authors:  Sarel J Fleishman; Timothy A Whitehead; Eva-Maria Strauch; Jacob E Corn; Sanbo Qin; Huan-Xiang Zhou; Julie C Mitchell; Omar N A Demerdash; Mayuko Takeda-Shitaka; Genki Terashi; Iain H Moal; Xiaofan Li; Paul A Bates; Martin Zacharias; Hahnbeom Park; Jun-su Ko; Hasup Lee; Chaok Seok; Thomas Bourquard; Julie Bernauer; Anne Poupon; Jérôme Azé; Seren Soner; Sefik Kerem Ovali; Pemra Ozbek; Nir Ben Tal; Türkan Haliloglu; Howook Hwang; Thom Vreven; Brian G Pierce; Zhiping Weng; Laura Pérez-Cano; Carles Pons; Juan Fernández-Recio; Fan Jiang; Feng Yang; Xinqi Gong; Libin Cao; Xianjin Xu; Bin Liu; Panwen Wang; Chunhua Li; Cunxin Wang; Charles H Robert; Mainak Guharoy; Shiyong Liu; Yangyu Huang; Lin Li; Dachuan Guo; Ying Chen; Yi Xiao; Nir London; Zohar Itzhaki; Ora Schueler-Furman; Yuval Inbar; Vladimir Potapov; Mati Cohen; Gideon Schreiber; Yuko Tsuchiya; Eiji Kanamori; Daron M Standley; Haruki Nakamura; Kengo Kinoshita; Camden M Driggers; Robert G Hall; Jessica L Morgan; Victor L Hsu; Jian Zhan; Yuedong Yang; Yaoqi Zhou; Panagiotis L Kastritis; Alexandre M J J Bonvin; Weiyi Zhang; Carlos J Camacho; Krishna P Kilambi; Aroop Sircar; Jeffrey J Gray; Masahito Ohue; Nobuyuki Uchikoga; Yuri Matsuzaki; Takashi Ishida; Yutaka Akiyama; Raed Khashan; Stephen Bush; Denis Fouches; Alexander Tropsha; Juan Esquivel-Rodríguez; Daisuke Kihara; P Benjamin Stranges; Ron Jacak; Brian Kuhlman; Sheng-You Huang; Xiaoqin Zou; Shoshana J Wodak; Joel Janin; David Baker
Journal:  J Mol Biol       Date:  2011-09-29       Impact factor: 5.469

4.  Integrating atom-based and residue-based scoring functions for protein-protein docking.

Authors:  Thom Vreven; Howook Hwang; Zhiping Weng
Journal:  Protein Sci       Date:  2011-08-08       Impact factor: 6.725

5.  Computational design of proteins targeting the conserved stem region of influenza hemagglutinin.

Authors:  Sarel J Fleishman; Timothy A Whitehead; Damian C Ekiert; Cyrille Dreyfus; Jacob E Corn; Eva-Maria Strauch; Ian A Wilson; David Baker
Journal:  Science       Date:  2011-05-13       Impact factor: 47.728

6.  Design, production and molecular structure of a new family of artificial alpha-helicoidal repeat proteins (αRep) based on thermostable HEAT-like repeats.

Authors:  Agathe Urvoas; Asma Guellouz; Marie Valerio-Lepiniec; Marc Graille; Dominique Durand; Danielle C Desravines; Herman van Tilbeurgh; Michel Desmadril; Philippe Minard
Journal:  J Mol Biol       Date:  2010-09-29       Impact factor: 5.469

7.  ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules.

Authors:  Andrew Leaver-Fay; Michael Tyka; Steven M Lewis; Oliver F Lange; James Thompson; Ron Jacak; Kristian Kaufman; P Douglas Renfrew; Colin A Smith; Will Sheffler; Ian W Davis; Seth Cooper; Adrien Treuille; Daniel J Mandell; Florian Richter; Yih-En Andrew Ban; Sarel J Fleishman; Jacob E Corn; David E Kim; Sergey Lyskov; Monica Berrondo; Stuart Mentzer; Zoran Popović; James J Havranek; John Karanicolas; Rhiju Das; Jens Meiler; Tanja Kortemme; Jeffrey J Gray; Brian Kuhlman; David Baker; Philip Bradley
Journal:  Methods Enzymol       Date:  2011       Impact factor: 1.600

8.  CPORT: a consensus interface predictor and its performance in prediction-driven docking with HADDOCK.

Authors:  Sjoerd J de Vries; Alexandre M J J Bonvin
Journal:  PLoS One       Date:  2011-03-25       Impact factor: 3.240

9.  Accelerating protein docking in ZDOCK using an advanced 3D convolution library.

Authors:  Brian G Pierce; Yuichiro Hourai; Zhiping Weng
Journal:  PLoS One       Date:  2011-09-19       Impact factor: 3.240

10.  Mechanism of activation of methyltransferases involved in translation by the Trm112 'hub' protein.

Authors:  Dominique Liger; Liliana Mora; Noureddine Lazar; Sabine Figaro; Julien Henri; Nathalie Scrima; Richard H Buckingham; Herman van Tilbeurgh; Valérie Heurgué-Hamard; Marc Graille
Journal:  Nucleic Acids Res       Date:  2011-04-07       Impact factor: 16.971

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  9 in total

1.  ZDOCK server: interactive docking prediction of protein-protein complexes and symmetric multimers.

Authors:  Brian G Pierce; Kevin Wiehe; Howook Hwang; Bong-Hyun Kim; Thom Vreven; Zhiping Weng
Journal:  Bioinformatics       Date:  2014-02-14       Impact factor: 6.937

2.  Performance of ZDOCK and IRAD in CAPRI rounds 39-45.

Authors:  Thom Vreven; Sweta Vangaveti; Tyler M Borrman; Jennifer C Gaines; Zhiping Weng
Journal:  Proteins       Date:  2020-02-08

3.  Integrating Cross-Linking Experiments with Ab Initio Protein-Protein Docking.

Authors:  Thom Vreven; Devin K Schweppe; Juan D Chavez; Chad R Weisbrod; Sayaka Shibata; Chunxiang Zheng; James E Bruce; Zhiping Weng
Journal:  J Mol Biol       Date:  2018-04-14       Impact factor: 5.469

4.  Performance of ZDOCK and IRAD in CAPRI rounds 28-34.

Authors:  Thom Vreven; Brian G Pierce; Tyler M Borrman; Zhiping Weng
Journal:  Proteins       Date:  2016-10-24

5.  Anti-epileptic Kunitz-like peptides discovered in the branching coral Acropora digitifera through transcriptomic analysis.

Authors:  Hanbin Chen; Shirley Weng In Siu; Clarence Tsun Ting Wong; Jianwen Qiu; Alex Kwok-Kuen Cheung; Simon Ming Yuen Lee
Journal:  Arch Toxicol       Date:  2022-05-23       Impact factor: 6.168

6.  Computational analysis of the CB1 carboxyl-terminus in the receptor-G protein complex.

Authors:  Joong-Youn Shim; Leepakshi Khurana; Debra A Kendall
Journal:  Proteins       Date:  2016-02-15

7.  Updates to the Integrated Protein-Protein Interaction Benchmarks: Docking Benchmark Version 5 and Affinity Benchmark Version 2.

Authors:  Thom Vreven; Iain H Moal; Anna Vangone; Brian G Pierce; Panagiotis L Kastritis; Mieczyslaw Torchala; Raphael Chaleil; Brian Jiménez-García; Paul A Bates; Juan Fernandez-Recio; Alexandre M J J Bonvin; Zhiping Weng
Journal:  J Mol Biol       Date:  2015-07-29       Impact factor: 5.469

8.  AnkPlex: algorithmic structure for refinement of near-native ankyrin-protein docking.

Authors:  Tanchanok Wisitponchai; Watshara Shoombuatong; Vannajan Sanghiran Lee; Kuntida Kitidee; Chatchai Tayapiwatana
Journal:  BMC Bioinformatics       Date:  2017-04-19       Impact factor: 3.169

9.  Phosphorylation promotes the endonuclease-like activity of human centrin 2.

Authors:  Jing Yang; Yaqin Zhao; Binsheng Yang
Journal:  RSC Adv       Date:  2022-08-09       Impact factor: 4.036

  9 in total

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