Erratum to: Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1: HADDOCK in CASP-CAPRI Round 1 (Proteins: Structure, Function, and Bioinformatics, (2017), 85, 3, (417-423), 10.1002/prot.25198)

A Vangone; J P G L M Rodrigues; L C Xue; G C P van Zundert; C Geng; Z Kurkcuoglu; M Nellen; S Narasimhan; E Karaca; M van Dijk; A S J Melquiond; K M Visscher; M Trellet; P L Kastritis; A M J J Bonvin

doi:10.1002/prot.25339

Erratum to: Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1: HADDOCK in CASP-CAPRI Round 1 (Proteins: Structure, Function, and Bioinformatics, (2017), 85, 3, (417-423), 10.1002/prot.25198)

A Vangone
, J P G L M Rodrigues
, L C Xue
, G C P van Zundert
, C Geng
, Z Kurkcuoglu
, M Nellen
, S Narasimhan
, E Karaca
, M van Dijk
, A S J Melquiond
, K M Visscher
, M Trellet
, P L Kastritis
, A M J J Bonvin^*

^*Corresponding author for this work

Research output: Contribution to journal › Comment/Letter to the editor › Academic › peer-review

Abstract

Keywords: docking; biomolecular complexes; ranking; electrostatics; van derWaals energy; desolvation energy; scoring functions; data-driven docking Erratum There was a typo in the equations 1 and 3 on page 418. The correct equations are reported below. 1. HS-it0 : 0.01E _vdW + 1.0 E _elec + 1.0E _desolv – 0.01 BSA + 0.01 E _AIR 2. HS-it1 : 1.0E _vdW + 1.0 E _elec + 1.0 E _desolv – 0.01 BSA + 0.1 E _AIR 3. HS-water : 1.0 E _vdW + 0.2 E _elec + 1:0 E _desolv + 0.01E _AIR.

Original language	English
Pages (from-to)	1589-1590
Number of pages	2
Journal	Proteins: Structure function and bioinformatics
Volume	85
Issue number	8
DOIs	https://doi.org/10.1002/prot.25339
Publication status	Published - Aug 2017
Externally published	Yes

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Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1
Vangone, A., Rodrigues, J. P. G. L. M., Xue, L. C., van Zundert, G. C. P., Geng, C., Kurkcuoglu, Z., Nellen, M., Narasimhan, S., Karaca, E., van Dijk, M., Melquiond, A. S. J., Visscher, K. M., Trellet, M., Kastritis, P. L. & Bonvin, A. M. J. J., 1 Nov 2016, In: Proteins: Structure function and bioinformatics. 85, 3, p. 417-423 7 p.
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Vangone, A., Rodrigues, J. P. G. L. M., Xue, L. C., van Zundert, G. C. P., Geng, C., Kurkcuoglu, Z., Nellen, M., Narasimhan, S., Karaca, E., van Dijk, M., Melquiond, A. S. J., Visscher, K. M., Trellet, M., Kastritis, P. L., & Bonvin, A. M. J. J. (2017). Erratum to: Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1: HADDOCK in CASP-CAPRI Round 1 (Proteins: Structure, Function, and Bioinformatics, (2017), 85, 3, (417-423), 10.1002/prot.25198). Proteins: Structure function and bioinformatics, 85(8), 1589-1590. https://doi.org/10.1002/prot.25339

@article{28ee7a36894a475a9200685b51fa3bb0,

title = "Erratum to: Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1: HADDOCK in CASP-CAPRI Round 1 (Proteins: Structure, Function, and Bioinformatics, (2017), 85, 3, (417-423), 10.1002/prot.25198)",

abstract = "Keywords: docking; biomolecular complexes; ranking; electrostatics; van derWaals energy; desolvation energy; scoring functions; data-driven docking Erratum There was a typo in the equations 1 and 3 on page 418. The correct equations are reported below. 1. HS-it0 : 0.01E vdW + 1.0 E elec + 1.0E desolv – 0.01 BSA + 0.01 E AIR 2. HS-it1 : 1.0E vdW + 1.0 E elec + 1.0 E desolv – 0.01 BSA + 0.1 E AIR 3. HS-water : 1.0 E vdW + 0.2 E elec + 1:0 E desolv + 0.01E AIR.",

author = "A Vangone and Rodrigues, \{J P G L M\} and Xue, \{L C\} and \{van Zundert\}, \{G C P\} and C Geng and Z Kurkcuoglu and M Nellen and S Narasimhan and E Karaca and \{van Dijk\}, M and Melquiond, \{A S J\} and Visscher, \{K M\} and M Trellet and Kastritis, \{P L\} and Bonvin, \{A M J J\}",

note = "Publisher Copyright: {\textcopyright} 2017 Wiley Periodicals, Inc.",

year = "2017",

month = aug,

doi = "10.1002/prot.25339",

language = "English",

volume = "85",

pages = "1589--1590",

journal = "Proteins: Structure function and bioinformatics",

issn = "0887-3585",

publisher = "Wiley-Liss Inc.",

number = "8",

}

Vangone, A, Rodrigues, JPGLM, Xue, LC, van Zundert, GCP, Geng, C, Kurkcuoglu, Z, Nellen, M, Narasimhan, S, Karaca, E, van Dijk, M, Melquiond, ASJ, Visscher, KM, Trellet, M, Kastritis, PL & Bonvin, AMJJ 2017, 'Erratum to: Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1: HADDOCK in CASP-CAPRI Round 1 (Proteins: Structure, Function, and Bioinformatics, (2017), 85, 3, (417-423), 10.1002/prot.25198)', Proteins: Structure function and bioinformatics, vol. 85, no. 8, pp. 1589-1590. https://doi.org/10.1002/prot.25339

Erratum to: Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1: HADDOCK in CASP-CAPRI Round 1 (Proteins: Structure, Function, and Bioinformatics, (2017), 85, 3, (417-423), 10.1002/prot.25198). / Vangone, A; Rodrigues, J P G L M; Xue, L C et al.
In: Proteins: Structure function and bioinformatics, Vol. 85, No. 8, 08.2017, p. 1589-1590.

Research output: Contribution to journal › Comment/Letter to the editor › Academic › peer-review

TY - JOUR

T1 - Erratum to

T2 - Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1: HADDOCK in CASP-CAPRI Round 1 (Proteins: Structure, Function, and Bioinformatics, (2017), 85, 3, (417-423), 10.1002/prot.25198)

AU - Vangone, A

AU - Rodrigues, J P G L M

AU - Xue, L C

AU - van Zundert, G C P

AU - Geng, C

AU - Kurkcuoglu, Z

AU - Nellen, M

AU - Narasimhan, S

AU - Karaca, E

AU - van Dijk, M

AU - Melquiond, A S J

AU - Visscher, K M

AU - Trellet, M

AU - Kastritis, P L

AU - Bonvin, A M J J

PY - 2017/8

Y1 - 2017/8

N2 - Keywords: docking; biomolecular complexes; ranking; electrostatics; van derWaals energy; desolvation energy; scoring functions; data-driven docking Erratum There was a typo in the equations 1 and 3 on page 418. The correct equations are reported below. 1. HS-it0 : 0.01E vdW + 1.0 E elec + 1.0E desolv – 0.01 BSA + 0.01 E AIR 2. HS-it1 : 1.0E vdW + 1.0 E elec + 1.0 E desolv – 0.01 BSA + 0.1 E AIR 3. HS-water : 1.0 E vdW + 0.2 E elec + 1:0 E desolv + 0.01E AIR.

AB - Keywords: docking; biomolecular complexes; ranking; electrostatics; van derWaals energy; desolvation energy; scoring functions; data-driven docking Erratum There was a typo in the equations 1 and 3 on page 418. The correct equations are reported below. 1. HS-it0 : 0.01E vdW + 1.0 E elec + 1.0E desolv – 0.01 BSA + 0.01 E AIR 2. HS-it1 : 1.0E vdW + 1.0 E elec + 1.0 E desolv – 0.01 BSA + 0.1 E AIR 3. HS-water : 1.0 E vdW + 0.2 E elec + 1:0 E desolv + 0.01E AIR.

UR - https://www.scopus.com/pages/publications/85025112994

U2 - 10.1002/prot.25339

DO - 10.1002/prot.25339

M3 - Comment/Letter to the editor

C2 - 28730688

SN - 0887-3585

VL - 85

SP - 1589

EP - 1590

JO - Proteins: Structure function and bioinformatics

JF - Proteins: Structure function and bioinformatics

IS - 8

ER -

Vangone A, Rodrigues JPGLM, Xue LC, van Zundert GCP, Geng C, Kurkcuoglu Z et al. Erratum to: Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1: HADDOCK in CASP-CAPRI Round 1 (Proteins: Structure, Function, and Bioinformatics, (2017), 85, 3, (417-423), 10.1002/prot.25198). Proteins: Structure function and bioinformatics. 2017 Aug;85(8):1589-1590. doi: 10.1002/prot.25339

Erratum to: Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1: HADDOCK in CASP-CAPRI Round 1 (Proteins: Structure, Function, and Bioinformatics, (2017), 85, 3, (417-423), 10.1002/prot.25198)

Abstract

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Sense and simplicity in HADDOCK scoring: Lessons from CASP-CAPRI round 1

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