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An overview of data-driven HADDOCK strategies in CAPRI rounds 38-45

View ORCID ProfileP.I. Koukos, View ORCID ProfileJ. Roel-Touris, F. Ambrosetti, View ORCID ProfileC. Geng, View ORCID ProfileJ. Schaarschmidt, View ORCID ProfileM.E. Trellet, View ORCID ProfileA.S.J. Melquiond, View ORCID ProfileL.C. Xue, View ORCID ProfileR.V. Honorato, View ORCID ProfileI. Moreira, View ORCID ProfileZ. Kurkcuoglu, View ORCID ProfileA. Vangone, View ORCID ProfileA.M.J.J. Bonvin
doi: https://doi.org/10.1101/718122
P.I. Koukos
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
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  • ORCID record for P.I. Koukos
J. Roel-Touris
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
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F. Ambrosetti
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
5Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00184, Rome, Italy
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C. Geng
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
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J. Schaarschmidt
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
2Multiscale Materials Modelling and Virtual Design, Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), 76 021, Karlsruhe, Germany
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M.E. Trellet
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
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  • ORCID record for M.E. Trellet
A.S.J. Melquiond
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
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L.C. Xue
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
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R.V. Honorato
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
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I. Moreira
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
3CNC - Center for Neuroscience and Cell Biology; Rua Larga, FMUC, Polo I, 1°andar, Universidade de Coimbra, 3004-517; Coimbra, Portugal
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Z. Kurkcuoglu
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
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A. Vangone
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
4PharmaResearch and Early Development, Large Molecule Research, Roche Innovation Center Munich, No nnenwald 2. 82377 Penzberg, Germany
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A.M.J.J. Bonvin
1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
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  • For correspondence: a.m.j.j.bonvin@uu.nl
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Article Information

doi 
https://doi.org/10.1101/718122
History 
  • July 29, 2019.
Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license.

Author Information

  1. P.I. Koukos1,
  2. J. Roel-Touris1,
  3. F. Ambrosetti1,5,
  4. C. Geng1,
  5. J. Schaarschmidt1,2,
  6. M.E. Trellet1,
  7. A.S.J. Melquiond1,
  8. L.C. Xue1,
  9. R.V. Honorato1,
  10. I. Moreira1,3,
  11. Z. Kurkcuoglu1,
  12. A. Vangone1,4 and
  13. A.M.J.J. Bonvin1,#
  1. 1Computational Structural Biology Group, Department of Chemistry, Faculty of Science, Utrecht University, 3584CH, Utrecht, The Netherlands
  2. 2Multiscale Materials Modelling and Virtual Design, Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), 76 021, Karlsruhe, Germany
  3. 3CNC - Center for Neuroscience and Cell Biology; Rua Larga, FMUC, Polo I, 1°andar, Universidade de Coimbra, 3004-517; Coimbra, Portugal
  4. 4PharmaResearch and Early Development, Large Molecule Research, Roche Innovation Center Munich, No nnenwald 2. 82377 Penzberg, Germany
  5. 5Department of Physics, Sapienza University, Piazzale Aldo Moro 5, 00184, Rome, Italy
  1. ↵*Corresponding author; email: a.m.j.j.bonvin{at}uu.nl
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An overview of data-driven HADDOCK strategies in CAPRI rounds 38-45
P.I. Koukos, J. Roel-Touris, F. Ambrosetti, C. Geng, J. Schaarschmidt, M.E. Trellet, A.S.J. Melquiond, L.C. Xue, R.V. Honorato, I. Moreira, Z. Kurkcuoglu, A. Vangone, A.M.J.J. Bonvin
bioRxiv 718122; doi: https://doi.org/10.1101/718122
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An overview of data-driven HADDOCK strategies in CAPRI rounds 38-45
P.I. Koukos, J. Roel-Touris, F. Ambrosetti, C. Geng, J. Schaarschmidt, M.E. Trellet, A.S.J. Melquiond, L.C. Xue, R.V. Honorato, I. Moreira, Z. Kurkcuoglu, A. Vangone, A.M.J.J. Bonvin
bioRxiv 718122; doi: https://doi.org/10.1101/718122

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