A1 Journal article (refereed)
Suitability of MMGBSA for the selection of correct ligand binding modes from docking results (2019)


Ahinko, M., Niinivehmas, S., Jokinen, E., & Pentikäinen, O. (2019). Suitability of MMGBSA for the selection of correct ligand binding modes from docking results. Chemical Biology and Drug Design, 93 (4), 522-538. doi:10.1111/cbdd.13446


JYU authors or editors


Publication details

All authors or editors: Ahinko, Mira; Niinivehmas, Sanna; Jokinen, Elmeri; Pentikäinen, Olli

Journal or series: Chemical Biology and Drug Design

ISSN: 1747-0277

Publication year: 2019

Volume: 93

Issue number: 4

Pages range: 522-538

Publisher: Wiley-Blackwell Publishing, Inc.

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1111/cbdd.13446

Open Access: Publication channel is not openly available

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/63499


Keywords: proteins; ligands; computational chemistry; drug design

Free keywords: drug discovery; molecular modeling; receptor and ligands; structure based drug-design


Contributing organizations

Other organizations:


Ministry reporting: Yes

Reporting Year: 2019

JUFO rating: 1


Last updated on 2021-22-02 at 17:46