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

Office: C642

ORCID identifier: https://orcid.org/0000-0002-2947-7991

Areas of expertise

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

Publications

1 of 2

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.
(A1 Refereed original research article in a scientific journal)
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.

(A1 Refereed original research article in a scientific journal)
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
(A1 Refereed original research article in a scientific journal)
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
(A1 Refereed original research article in a scientific journal)
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
(A1 Refereed original research article in a scientific journal)
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.
(A1 Refereed original research article in a scientific journal)
Negative Image-Based Rescoring: Using Cavity Information to Improve Docking Screening (2021) Protein-Ligand Interactions and Drug Design Pentikäinen Olli T., Postila Pekka A.
(A3 Refereed book chapter or chapter in a compilation book)
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.
(A3 Refereed book chapter or chapter in a compilation book)
A Perspective: Active Role of Lipids in Neurotransmitter Dynamics (2020)
- Molecular Neurobiology
Postila PA, Rog T
(A2 Refereed review article in a scientific journal )
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
(A1 Refereed original research article in a scientific journal)
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
(A1 Refereed original research article in a scientific journal)
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.
(A1 Refereed original research article in a scientific journal)
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
(A1 Refereed original research article in a scientific journal)
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
(A1 Refereed original research article in a scientific journal)
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
(A1 Refereed original research article in a scientific journal)
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
(A1 Refereed original research article in a scientific journal)
Negatively Charged Gangliosides Promote Membrane Association of Amphipathic Neurotransmitters (2018)
- Neuroscience
Juhola H, Postila PA, Rissanen S, Lolicato F, Vattulainen I, Rog T
(A1 Refereed original research article in a scientific journal)
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
(A1 Refereed original research article in a scientific journal)
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
(A1 Refereed original research article in a scientific journal)
Atomistic determinants of co-enzyme Q reduction at the Q(i)-site of the cytochrome bc(1) complex (2016)
- Scientific Reports
Postila PA, Kaszuba K, Kuleta P, Vattulainen I, Sarewicz M, Osyczka A, Rog T
(A1 Refereed original research article in a scientific journal)