University Lecturer; Associate Professor / Docent; Ph.D. Pekka Postila - UTU Research Portal

Pekka Postila
University Lecturer; Associate Professor / Docent; Ph.D.

- Senior Research Fellow,
Institute of Biomedicine (Faculty of Medicine)

pekka.postila@utu.fi

: C642

Computer-aided drug discovery; virtual screening; molecular dynamics simulations; molecular modelling; structural bioinformatics

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Designing fluorescent estrogen mimetic 7-hydroxycoumarin probe substrates for human sulfotransferase enzymes (2025)
- European Journal of Pharmaceutical Sciences
Juvonen, Risto O.; Postila, Pekka A.; Singh, Pankaj Kumar; Huuskonen, Juhani; Timonen, Juri; Fashe, Muluneh; Hussain, Rasikh; Aqip, Zaeema; Kärkkäinen, Olli; Raunio, Hannu; Pentikäinen, Olli T.
Atomistic simulations reveal impacts of missense mutations on the structure and function of SynGAP1 (2024)
- Briefings in Bioinformatics
Ali, Aliaa E.; Li, Li-Li; Courtney, Michael J.; Pentikäinen, Olli T.; Postila, Pekka A.
Building shape-focused pharmacophore models for effective docking screening (2024)
- Journal of cheminformatics
Moyano-Gómez, Paola; Lehtonen, Jukka V.; Pentikäinen, Olli T.; Postila, Pekka A.
Virtual Screening Strategy to Identify Retinoic Acid-Related Orphan Receptor γt Modulators (2023)
- Molecules
Jokinen Elmeri M, Niemeläinen Miika, Kurkinen Sami T, Lehtonen Jukka V, Lätti Sakari, Postila Pekka A, Pentikäinen Olli T, Niinivehmas Sanna P
Examining the Effect of Charged Lipids on Mitochondrial Outer Membrane Dynamics Using Atomistic Simulations (2022)
- Biomolecules
Oliveira Alina A, Rog Tomas, da Silva Alberico BF, Amaro Rommie E, Johnson Mark S, Postila Pekka A
Ligand-Enhanced Negative Images Optimized for Docking Rescoring (2022)
- International Journal of Molecular Sciences
Kurkinen Sami T, Lehtonen Jukka V, Pentikäinen Olli T, Postila Pekka A
Optimization of Cavity-Based Negative Images to Boost Docking Enrichment in Virtual Screening (2022)
- Journal of Chemical Information and Modeling
Kurkinen Sami T., Lehtonen Jukka V., Pentikäinen Olli T., Postila Pekka A.
Negative Image-Based Rescoring: Using Cavity Information to Improve Docking Screening (2021) Protein-Ligand Interactions and Drug Design Pentikäinen Olli T., Postila Pekka A.
Negative Image-Based Screening: Rigid Docking Using Cavity Information (2021) Protein-Ligand Interactions and Drug Design Postila Pekka A., Kurkinen Sami T., Pentikäinen Olli T.
A Perspective: Active Role of Lipids in Neurotransmitter Dynamics (2020)
- Molecular Neurobiology
Postila PA, Rog T
Membrane-Dependent Binding and Entry Mechanism of Dopamine into Its Receptor (2020)
- ACS Chemical Neuroscience
Lolicato F, Juhola H, Zak A, Postila PA, Saukko A, Rissanen S, Enkavi G, Vattulainen I, Kepczynski M, Rog T
A Practical Perspective: The Effect of Ligand Conformers on the Negative Image-Based Screening (2019)
- International Journal of Molecular Sciences
Ahinko M, Kurkinen ST, Niinivehmas SP, Pentikäinen OT, Postila PA
Fragment- and negative image-based screening of phosphodiesterase 10A inhibitors (2019)
- Chemical Biology and Drug Design
Jokinen E.M., Postila P.A., Ahinko M., Niinivehmas S., Pentikäinen O.T.
Getting Docking into Shape Using Negative Image-Based Restoring (2019)
- Journal of Chemical Information and Modeling
Sami T. Kurkinen, Sakari Lätti, Olli T. Pentikäinen, Pekka A. Postila
Blocking oestradiol synthesis pathways with potent and selective coumarin derivatives (2018)
- Journal of Enzyme Inhibition and Medicinal Chemistry
Niinivehmas S, Postila PA, Rauhamaki S, Manivannan E, Kortet S, Ahinko M, Huuskonen P, Nyberg N, Koskimies P, Latti S, Multamaki E, Juvonen RO, Raunio H, Pasanen M, Huuskonen J, Pentikainen OT
Discovery of Retinoic Acid-Related Orphan Receptor gamma t Inverse Agonists via Docking and Negative Image-Based Screening (2018)
- ACS Omega
Sanna Rauhamäki, Pekka A. Postila, Sakari Lätti, Sanna Niinivehmas, Elina Multamäki, Klaus R. Liedl, Olli T. Pentikäinen
Improving Docking Performance Using Negative Image-Based (2018)
- Frontiers in Pharmacology
Sami T. Kurkinen, Sanna Niinivehmas, Mira Ahinko, Sakari Lätti, Olli T. Pentikäinen, Pekka A. Postila
Negatively Charged Gangliosides Promote Membrane Association of Amphipathic Neurotransmitters (2018)
- Neuroscience
Juhola H, Postila PA, Rissanen S, Lolicato F, Vattulainen I, Rog T
Structure-Activity Relationship Analysis of 3-Phenylcoumarin-Based Monoamine Oxidase B Inhibitors (2018)
- Frontiers in Chemistry
Sanna Rauhamäki, Pekka A. Postila, Sanna Niinivehmas, Sami Kortet, Emmi Schildt, Mira Pasanen, Elangovan Manivannan, Mira Ahinko, Pasi Koskimies, Niina Nyberg, Pasi Huuskonen, Elina Multamäki, Markku Pasanen, Risto O. Juvonen, Hannu Raunio, Juhani Huuskonen, Olli T. Pentikäinen
Calcium Assists Dopamine Release by Preventing Aggregation on the Inner Leaflet of Presynaptic Vesicles (2017)
- ACS Chemical Neuroscience
Mokkila S, Postila PA, Rissanen S, Juhola H, Vattulainen I, Rog T