A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design

M.P.A. Sanders; L. Roumen; E. van der Horst; J.R. Lane; H.F. Vischer; J. van Offenbeek; H. de Vries; S. Verhoeven; K.Y. Show; F. Verkaar; M.W. Beukers; R McGuire; R. Leurs; A.P. IJzerman; J de Vlieg; I.J.P. de Esch; G.J. Zaman; J.P.G Klomp; A. Bender; C. de Graaf

doi:10.1021/jm300280e

A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design

M.P.A. Sanders, L. Roumen, E. van der Horst, J.R. Lane, H.F. Vischer, J. van Offenbeek, H. de Vries, S. Verhoeven, K.Y. Show, F. Verkaar, M.W. Beukers, R McGuire, R. Leurs, A.P. IJzerman, J de Vlieg, I.J.P. de Esch, G.J. Zaman, J.P.G Klomp, A. Bender, C. de Graaf

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Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

We present the systematic prospective evaluation of a protein-based and a ligand-based virtual screening platform against a set of three G-protein-coupled receptors (GPCRs): the β-2 adrenoreceptor (ADRB2), the adenosine A

Original language	English
Pages (from-to)	455-464
Journal	Journal of Medicinal Chemistry
Volume	8
DOIs	https://doi.org/10.1021/jm300280e
Publication status	Published - 2012

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Sanders, M. P. A., Roumen, L., van der Horst, E., Lane, J. R., Vischer, H. F., van Offenbeek, J., de Vries, H., Verhoeven, S., Show, K. Y., Verkaar, F., Beukers, M. W., McGuire, R., Leurs, R., IJzerman, A. P., de Vlieg, J., de Esch, I. J. P., Zaman, G. J., Klomp, J. P. G., Bender, A., & de Graaf, C. (2012). A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design. Journal of Medicinal Chemistry, 8, 455-464. https://doi.org/10.1021/jm300280e

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abstract = "We present the systematic prospective evaluation of a protein-based and a ligand-based virtual screening platform against a set of three G-protein-coupled receptors (GPCRs): the β-2 adrenoreceptor (ADRB2), the adenosine A",

author = "M.P.A. Sanders and L. Roumen and \{van der Horst\}, E. and J.R. Lane and H.F. Vischer and \{van Offenbeek\}, J. and \{de Vries\}, H. and S. Verhoeven and K.Y. Show and F. Verkaar and M.W. Beukers and R McGuire and R. Leurs and A.P. IJzerman and \{de Vlieg\}, J and \{de Esch\}, I.J.P. and G.J. Zaman and J.P.G Klomp and A. Bender and \{de Graaf\}, C.",

year = "2012",

doi = "10.1021/jm300280e",

language = "English",

volume = "8",

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journal = "Journal of Medicinal Chemistry",

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Sanders, MPA, Roumen, L, van der Horst, E, Lane, JR, Vischer, HF, van Offenbeek, J, de Vries, H, Verhoeven, S, Show, KY, Verkaar, F, Beukers, MW, McGuire, R, Leurs, R, IJzerman, AP, de Vlieg, J, de Esch, IJP, Zaman, GJ, Klomp, JPG, Bender, A & de Graaf, C 2012, 'A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design', Journal of Medicinal Chemistry, vol. 8, pp. 455-464. https://doi.org/10.1021/jm300280e

TY - JOUR

T1 - A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design

AU - Sanders, M.P.A.

AU - Roumen, L.

AU - van der Horst, E.

AU - Lane, J.R.

AU - Vischer, H.F.

AU - van Offenbeek, J.

AU - de Vries, H.

AU - Verhoeven, S.

AU - Show, K.Y.

AU - Verkaar, F.

AU - Beukers, M.W.

AU - McGuire, R

AU - Leurs, R.

AU - IJzerman, A.P.

AU - de Vlieg, J

AU - de Esch, I.J.P.

AU - Zaman, G.J.

AU - Klomp, J.P.G

AU - Bender, A.

AU - de Graaf, C.

PY - 2012

Y1 - 2012

N2 - We present the systematic prospective evaluation of a protein-based and a ligand-based virtual screening platform against a set of three G-protein-coupled receptors (GPCRs): the β-2 adrenoreceptor (ADRB2), the adenosine A

AB - We present the systematic prospective evaluation of a protein-based and a ligand-based virtual screening platform against a set of three G-protein-coupled receptors (GPCRs): the β-2 adrenoreceptor (ADRB2), the adenosine A

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DO - 10.1021/jm300280e

M3 - Article

SN - 0022-2623

VL - 8

SP - 455

EP - 464

JO - Journal of Medicinal Chemistry

JF - Journal of Medicinal Chemistry

ER -

A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design

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