Physical Chemistry Chemical Physics

, volume 18 , issue 18 , pages 12964-12975

Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

Zhe Wang ¹

Huiyong Sun ¹

Xinsheng Yao ²

Dan Li ¹

Lei Xu ³

Yongdan Li ⁴

Sheng Tian ⁴

Tingjun Hou ^{1, 5}

Hide authors affiliations Show authors affiliations: 5 affiliations

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang 310058, China |

State Key Laboratory of Quality Research in Chinese Medicine, Macau Institute For Applied Research in Medicine and Health, Macau University of Science and Technology, Avenida Wai Long, Taipa, Macau (SAR), China |

Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou 213001, China |

⁴

Institute of Functional Nano and Soft Materials (FUNSOM), Soochow University, Suzhou, Jiangsu 215123, China |

⁵

State Key Lab of CAD&CG, Zhejiang University, Hangzhou, Zhejiang 310058, China |

Publication type: Journal Article

Publication date: 2016-04-07

Royal Society of Chemistry (RSC)

Physical Chemistry Chemical Physics

scimago Q2

wos Q2

SJR: 0.698

CiteScore: 5.3

Impact factor: 2.9

ISSN: 14639076, 14639084

DOI: 10.1039/C6CP01555G

Copy DOI

PubMed ID: 27108770

Physical and Theoretical Chemistry

General Physics and Astronomy

Abstract

We evaluated the capabilities of ten molecular docking programs to predict the ligand binding poses (sampling power) and rank the binding affinities (scoring power).

Found

7 citations

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Novosibirsk State University

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N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry of the Siberian Branch of the Russian Academy of Sciences

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Moscow Aviation Institute (National Research University)

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Nature-like technologies

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Institute of Technical Chemistry of the Ural Branch of the Russian Academy of Sciences

Perm Federal Research Center of the Ural Branch of the Russian Academy of Sciences

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Smorodintsev Research Institute of Influenza

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Cite this

GOST |

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GOST Copy

Wang Z. et al. Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power // Physical Chemistry Chemical Physics. 2016. Vol. 18. No. 18. pp. 12964-12975.

GOST all authors (up to 50) Copy

Wang Z., Sun H., Yao X., Li D., Xu L., Li Y., Tian S., Hou T. Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power // Physical Chemistry Chemical Physics. 2016. Vol. 18. No. 18. pp. 12964-12975.

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1039/C6CP01555G

UR - https://doi.org/10.1039/C6CP01555G

TI - Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

T2 - Physical Chemistry Chemical Physics

AU - Wang, Zhe

AU - Sun, Huiyong

AU - Yao, Xinsheng

AU - Li, Dan

AU - Xu, Lei

AU - Li, Yongdan

AU - Tian, Sheng

AU - Hou, Tingjun

PY - 2016

DA - 2016/04/07

PB - Royal Society of Chemistry (RSC)

SP - 12964-12975

IS - 18

VL - 18

PMID - 27108770

SN - 1463-9076

SN - 1463-9084

ER -

BibTex |

Cite this

BibTex (up to 50 authors) Copy

@article{2016_Wang,

author = {Zhe Wang and Huiyong Sun and Xinsheng Yao and Dan Li and Lei Xu and Yongdan Li and Sheng Tian and Tingjun Hou},

title = {Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power},

journal = {Physical Chemistry Chemical Physics},

year = {2016},

volume = {18},

publisher = {Royal Society of Chemistry (RSC)},

month = {apr},

url = {https://doi.org/10.1039/C6CP01555G},

number = {18},

pages = {12964--12975},

doi = {10.1039/C6CP01555G}

}

MLA

Cite this

MLA Copy

Wang, Zhe, et al. “Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power.” Physical Chemistry Chemical Physics, vol. 18, no. 18, Apr. 2016, pp. 12964-12975. https://doi.org/10.1039/C6CP01555G.

Publisher

Royal Society of Chemistry (RSC)

Journal

Physical Chemistry Chemical Physics

scimago Q2

wos Q2

SJR

0.698

CiteScore

5.3

Impact factor

2.9

ISSN

14639076 (Print)

14639084 (Electronic)

Profiles

Tingjun J Hou