A1 Journal article (refereed)
A Practical Perspective : The Effect of Ligand Conformers on the Negative Image-Based Screening (2019)

Ahinko, M., Kurkinen, S., Niinivehmas, S., Pentikäinen, O., & Postila, P. (2019). A Practical Perspective : The Effect of Ligand Conformers on the Negative Image-Based Screening. International Journal of Molecular Sciences, 20(11), Article 2779. https://doi.org/10.3390/ijms20112779

JYU authors or editors

Publication details

All authors or editors: Ahinko, Mira; Kurkinen, Sami; Niinivehmas, Sanna; Pentikäinen, Olli; Postila, Pekka

Journal or series: International Journal of Molecular Sciences

ISSN: 1661-6596

eISSN: 1422-0067

Publication year: 2019

Volume: 20

Issue number: 11

Article number: 2779

Publisher: MDPI Center

Publication country: Switzerland

Publication language: English

DOI: https://doi.org/10.3390/ijms20112779

Publication open access: Openly available

Publication channel open access: Open Access channel

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/64677

Keywords: molecular medicine; drug design; enzymes; ligands

Free keywords: cyclooxygenase-2 (COX-2); docking rescoring; molecular docking; negative image-based (NIB) screening; negative image-based rescoring (R-NiB); rigid docking; structure-based drug discovery; virtual screening

Contributing organizations

Ministry reporting: Yes

Reporting Year: 2019

JUFO rating: 1