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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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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Journal Article
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
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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Journal Article
Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening
Virtanen, Salla I., Niinivehmas, Sanna P., Pentikäinen, Olli T.
Published in Journal of molecular graphics & modelling (01.11.2015)
Published in Journal of molecular graphics & modelling (01.11.2015)
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Journal Article
Development of new Coumarin-based profluorescent substrates for human cytochrome P450 enzymes
Juvonen, Risto O., Ahinko, Mira, Huuskonen, Juhani, Raunio, Hannu, Pentikäinen, Olli T.
Published in Xenobiotica (02.09.2019)
Published in Xenobiotica (02.09.2019)
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Journal Article
Computational Study on the Inhibitory Effect of Natural Compounds against the SARS-CoV-2 Proteins
Jayaraj, John Marshal, Jothimani, Muralidharan, Palanisamy, Chella Perumal, Pentikäinen, Olli T., Pannipara, Mehboobali, Al-Sehemi, Abdullah G., Muthusamy, Karthikeyan, Gopinath, Krishnasamy
Published in Bioinorganic chemistry and applications (2022)
Published in Bioinorganic chemistry and applications (2022)
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Journal Article
Rational design, optimization, and biological evaluation of novel α-Phosphonopropionic acids as covalent inhibitors of Rab geranylgeranyl transferase
Małolepsza, Joanna, Marchwicka, Aleksandra, Serwa, Remigiusz A., Niinivehmas, Sanna P., Pentikäinen, Olli T., Gendaszewska-Darmach, Edyta, Błażewska, Katarzyna M.
Published in Journal of enzyme inhibition and medicinal chemistry (01.12.2022)
Published in Journal of enzyme inhibition and medicinal chemistry (01.12.2022)
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