Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset (Journal of Computer-Aided Molecular Design, (2017), 31, 1, (147-161), 10.1007/s10822-016-9977-1)

Michael R. Shirts; Christoph Klein; Jason M. Swails; Jian Yin; Michael K. Gilson; David L. Mobley; David A. Case; Ellen D. Zhong

doi:10.1007/s10822-017-0043-4

Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset (Journal of Computer-Aided Molecular Design, (2017), 31, 1, (147-161), 10.1007/s10822-016-9977-1)

Michael R. Shirts
, Christoph Klein
, Jason M. Swails
, Jian Yin
, Michael K. Gilson
, David L. Mobley
, David A. Case
, Ellen D. Zhong

Research output: Contribution to journal › Comment/debate › peer-review

5 Scopus citations

Abstract

Electronic Supplementary Material (ESM) (referred to in the article as Supporting Information) had erroneously not been published in the original publication. The missing ESM are provided in this erratum.

Original language	English (US)
Pages (from-to)	777
Number of pages	1
Journal	Journal of Computer-Aided Molecular Design
Volume	31
Issue number	8
DOIs	https://doi.org/10.1007/s10822-017-0043-4
State	Published - Aug 1 2017
Externally published	Yes

All Science Journal Classification (ASJC) codes

Drug Discovery
Computer Science Applications
Physical and Theoretical Chemistry

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10.1007/s10822-017-0043-4

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Shirts, M. R., Klein, C., Swails, J. M., Yin, J., Gilson, M. K., Mobley, D. L., Case, D. A., & Zhong, E. D. (2017). Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset (Journal of Computer-Aided Molecular Design, (2017), 31, 1, (147-161), 10.1007/s10822-016-9977-1). Journal of Computer-Aided Molecular Design, 31(8), 777. https://doi.org/10.1007/s10822-017-0043-4

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abstract = "Electronic Supplementary Material (ESM) (referred to in the article as Supporting Information) had erroneously not been published in the original publication. The missing ESM are provided in this erratum.",

author = "Shirts, \{Michael R.\} and Christoph Klein and Swails, \{Jason M.\} and Jian Yin and Gilson, \{Michael K.\} and Mobley, \{David L.\} and Case, \{David A.\} and Zhong, \{Ellen D.\}",

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doi = "10.1007/s10822-017-0043-4",

language = "English (US)",

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Shirts, MR, Klein, C, Swails, JM, Yin, J, Gilson, MK, Mobley, DL, Case, DA & Zhong, ED 2017, 'Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset (Journal of Computer-Aided Molecular Design, (2017), 31, 1, (147-161), 10.1007/s10822-016-9977-1)', Journal of Computer-Aided Molecular Design, vol. 31, no. 8, pp. 777. https://doi.org/10.1007/s10822-017-0043-4

Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset (Journal of Computer-Aided Molecular Design, (2017), 31, 1, (147-161), 10.1007/s10822-016-9977-1). / Shirts, Michael R.; Klein, Christoph; Swails, Jason M. et al.
In: Journal of Computer-Aided Molecular Design, Vol. 31, No. 8, 01.08.2017, p. 777.

Research output: Contribution to journal › Comment/debate › peer-review

TY - JOUR

T1 - Erratum to

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AU - Shirts, Michael R.

AU - Klein, Christoph

AU - Swails, Jason M.

AU - Yin, Jian

AU - Gilson, Michael K.

AU - Mobley, David L.

AU - Case, David A.

AU - Zhong, Ellen D.

PY - 2017/8/1

Y1 - 2017/8/1

N2 - Electronic Supplementary Material (ESM) (referred to in the article as Supporting Information) had erroneously not been published in the original publication. The missing ESM are provided in this erratum.

AB - Electronic Supplementary Material (ESM) (referred to in the article as Supporting Information) had erroneously not been published in the original publication. The missing ESM are provided in this erratum.

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DO - 10.1007/s10822-017-0043-4

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AN - SCOPUS:85026894137

SN - 0920-654X

VL - 31

SP - 777

JO - Journal of Computer-Aided Molecular Design

JF - Journal of Computer-Aided Molecular Design

IS - 8

ER -

Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset (Journal of Computer-Aided Molecular Design, (2017), 31, 1, (147-161), 10.1007/s10822-016-9977-1)

Abstract

All Science Journal Classification (ASJC) codes

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