Cyanidin-3-glucoside binds to talin and modulates colon cancer cell adhesions and 3D growth
Baster, Zbigniew, Li, Liqing, Kukkurainen, Sampo, Chen, Jing, Pentikäinen, Olli, Győrffy, Balázs, Hytönen, Vesa P, Zhu, Haining, Rajfur, Zenon, Huang, Cai
Published in The FASEB journal (01.02.2020)
Published in The FASEB journal (01.02.2020)
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Journal Article
Detection of Binding Sites on SARS-CoV-2 Spike Protein Receptor-Binding Domain by Molecular Dynamics Simulations in Mixed Solvents
Jokinen, Elmeri M., Gopinath, Krishnasamy, Kurkinen, Sami T., Pentikainen, Olli T.
Published in IEEE/ACM transactions on computational biology and bioinformatics (01.07.2021)
Published in IEEE/ACM transactions on computational biology and bioinformatics (01.07.2021)
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Journal Article
In vitro sulfonation of 7-hydroxycoumarin derivatives in liver cytosol of human and six animal species
Juvonen, Risto O., Pentikäinen, Olli, Huuskonen, Juhani, Timonen, Juri, Kärkkäinen, Olli, Heikkinen, Aki, Fashe, Muluneh, Raunio, Hannu
Published in Xenobiotica (02.08.2020)
Published in Xenobiotica (02.08.2020)
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Journal Article
MMGBSA As a Tool To Understand the Binding Affinities of Filamin–Peptide Interactions
Ylilauri, Mikko, Pentikäinen, Olli T
Published in Journal of chemical information and modeling (28.10.2013)
Published in Journal of chemical information and modeling (28.10.2013)
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Journal Article
Suitability of MMGBSA for the selection of correct ligand binding modes from docking results
Ahinko, Mira, Niinivehmas, Sanna, Jokinen, Elmeri, Pentikäinen, Olli T.
Published in Chemical biology & drug design (01.04.2019)
Published in Chemical biology & drug design (01.04.2019)
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Journal Article
Sdfconf: A Novel, Flexible, and Robust Molecular Data Management Tool
Lätti, Sakari T, Niinivehmas, Sanna, Pentikäinen, Olli T
Published in Journal of chemical information and modeling (10.01.2022)
Published in Journal of chemical information and modeling (10.01.2022)
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Journal Article
Rocker: Open source, easy-to-use tool for AUC and enrichment calculations and ROC visualization
Lätti, Sakari, Niinivehmas, Sanna, Pentikäinen, Olli T.
Published in Journal of cheminformatics (07.09.2016)
Published in Journal of cheminformatics (07.09.2016)
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Journal Article
Getting Docking into Shape Using Negative Image-Based Rescoring
Kurkinen, Sami T, Lätti, Sakari, Pentikäinen, Olli T, Postila, Pekka A
Published in Journal of chemical information and modeling (26.08.2019)
Published in Journal of chemical information and modeling (26.08.2019)
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Journal Article
Ligand-Enhanced Negative Images Optimized for Docking Rescoring
Kurkinen, Sami T., Lehtonen, Jukka V., Pentikäinen, Olli T., Postila, Pekka A.
Published in International journal of molecular sciences (17.07.2022)
Published in International journal of molecular sciences (17.07.2022)
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Identification of the Privileged Position in the Imidazo[1,2‑a]pyridine Ring of Phosphonocarboxylates for Development of Rab Geranylgeranyl Transferase (RGGT) Inhibitors
Kaźmierczak, Aleksandra, Kusy, Damian, Niinivehmas, Sanna P, Gmach, Joanna, Joachimiak, Łukasz, Pentikäinen, Olli T, Gendaszewska-Darmach, Edyta, Błażewska, Katarzyna M
Published in Journal of medicinal chemistry (09.11.2017)
Published in Journal of medicinal chemistry (09.11.2017)
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Molecular Docking-Based Design and Development of a Highly Selective Probe Substrate for UDP-glucuronosyltransferase 1A10
Juvonen, Risto O, Rauhamäki, Sanna, Kortet, Sami, Niinivehmas, Sanna, Troberg, Johanna, Petsalo, Aleksanteri, Huuskonen, Juhani, Raunio, Hannu, Finel, Moshe, Pentikäinen, Olli T
Published in Molecular pharmaceutics (05.03.2018)
Published in Molecular pharmaceutics (05.03.2018)
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Journal Article
Building shape-focused pharmacophore models for effective docking screening
Moyano-Gómez, Paola, Lehtonen, Jukka V., Pentikäinen, Olli T., Postila, Pekka A.
Published in Journal of cheminformatics (09.08.2024)
Published in Journal of cheminformatics (09.08.2024)
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Journal Article
Virtual Screening Strategy to Identify Retinoic Acid-Related Orphan Receptor γt Modulators
Jokinen, Elmeri M, Niemeläinen, Miika, Kurkinen, Sami T, Lehtonen, Jukka V, Lätti, Sakari, Postila, Pekka A, Pentikäinen, Olli T, Niinivehmas, Sanna P
Published in Molecules (Basel, Switzerland) (01.04.2023)
Published in Molecules (Basel, Switzerland) (01.04.2023)
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