Works matching AU Pentikäinen, Olli T.

Results: 22

Molecular docking and oxidation kinetics of 3-phenyl coumarin derivatives by human CYP2A13.

Published in:

Xenobiotica, 2021, v. 51, n. 11, p. 1207, doi. 10.1080/00498254.2021.1898700

By:

Juvonen, Risto O.;
Jokinen, Elmeri M.;
Huuskonen, Juhani;
Kärkkäinen, Olli;
Raunio, Hannu;
Pentikäinen, Olli T.

Publication type:

Article

Development of new Coumarin-based profluorescent substrates for human cytochrome P450 enzymes.

Published in:

Xenobiotica, 2019, v. 49, n. 9, p. 1015, doi. 10.1080/00498254.2018.1530399

By:

Juvonen, Risto O.;
Raunio, Hannu;
Ahinko, Mira;
Pentikäinen, Olli T.;
Huuskonen, Juhani

Publication type:

Article

Modeling of interactions between xenobiotics and cytochrome P450 (CYP) enzymes.

Published in:

Frontiers in Pharmacology, 2015, p. 1, doi. 10.3389/fphar.2015.00123

By:

Raunio, Hannu;
Kuusisto, Mira;
Juvonen, Risto O.;
Pentikäinen, Olli T.;
Fourches, Denis;
Mumtaz, Moiz M.

Publication type:

Article

Rocker: Open source, easy-to-use tool for AUC and enrichment calculations and ROC visualization.

Published in:

Journal of Cheminformatics, 2016, v. 8, p. 1, doi. 10.1186/s13321-016-0158-y

By:

Lätti, Sakari;
Niinivehmas, Sanna;
Pentikäinen, Olli T.

Publication type:

Article

Structural Mechanism of N-Methyl-D-Aspartate Receptor Type 1 Partial Agonism.

Published in:

PLoS ONE, 2012, v. 7, n. 10, p. 1, doi. 10.1371/journal.pone.0047604

By:

Ylilauri, Mikko;
Pentikäinen, Olli T.

Publication type:

Article

Molecular Basis of Filamin A-FilGAP Interaction and Its Impairment in Congenital Disorders Associated with Filamin A Mutations.

Published in:

PLoS ONE, 2009, v. 4, n. 3, p. 1, doi. 10.1371/journal.pone.0004928

By:

Nakamura, Fumihiko;
Heikkinen, Outi;
Pentikäinen, Olli T.;
Osborn, Teresia M.;
Kasza, Karen E.;
Weitz, David A.;
Kupiainen, Olga;
Permi, Perttu;
Kilpeläinen, Ilkka;
Ylänne, Jari;
Hartwig, John H.;
Stossel, Thomas P.

Publication type:

Article

Fragment‐ and negative image‐based screening of phosphodiesterase 10A inhibitors.

Published in:

Chemical Biology & Drug Design, 2019, v. 94, n. 4, p. 1799, doi. 10.1111/cbdd.13584

By:

Jokinen, Elmeri M.;
Postila, Pekka A.;
Ahinko, Mira;
Niinivehmas, Sanna;
Pentikäinen, Olli T.

Publication type:

Article

Suitability of MMGBSA for the selection of correct ligand binding modes from docking results.

Published in:

Chemical Biology & Drug Design, 2019, v. 93, n. 4, p. 522, doi. 10.1111/cbdd.13446

By:

Ahinko, Mira;
Niinivehmas, Sanna;
Jokinen, Elmeri;
Pentikäinen, Olli T.

Publication type:

Article

Rational design, optimization, and biological evaluation of novel α-Phosphonopropionic acids as covalent inhibitors of Rab geranylgeranyl transferase.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2022, v. 37, n. 1, p. 940, doi. 10.1080/14756366.2022.2053525

By:

Matolepsza, Joanna;
Marchwicka, Aleksandra;
Serwa, Remigiusz A.;
Niinivehmas, Sanna P.;
Pentikäinen, Olli T.;
Gendaszewska-Darmach, Edyta;
Błażewska, Katarzyna M.

Publication type:

Article

Blocking oestradiol synthesis pathways with potent and selective coumarin derivatives.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2018, v. 33, n. 1, p. 743, doi. 10.1080/14756366.2018.1452919

By:

Niinivehmas, Sanna;
Postila, Pekka A.;
Rauhamäki, Sanna;
Manivannan, Elangovan;
Kortet, Sami;
Ahinko, Mira;
Huuskonen, Pasi;
Nyberg, Niina;
Koskimies, Pasi;
Lätti, Sakari;
Multamäki, Elina;
Juvonen, Risto O.;
Raunio, Hannu;
Pasanen, Markku;
Huuskonen, Juhani;
Pentikäinen, Olli T.

Publication type:

Article

Temperature-dependent mutational robustness can explain faster molecular evolution at warm temperatures, affecting speciation rate and global patterns of species diversity.

Published in:

Ecography, 2016, v. 39, n. 11, p. 1025, doi. 10.1111/ecog.01948

By:

Puurtinen, Mikael;
Elo, Merja;
Jalasvuori, Matti;
Kahilainen, Aapo;
Ketola, Tarmo;
Kotiaho, Janne S.;
Mönkkönen, Mikko;
Pentikäinen, Olli T.

Publication type:

Article

Cooperative symmetric to asymmetric conformational transition of the apo-form of scavenger decapping enzyme revealed by simulations.

Published in:

Proteins, 2008, v. 70, n. 2, p. 498, doi. 10.1002/prot.21540

By:

Pentikäinen, Ulla;
Pentikäinen, Olli T.;
Mulholland, Adrian J.

Publication type:

Article

Computational Study on the Inhibitory Effect of Natural Compounds against the SARS-CoV-2 Proteins.

Published in:

Bioinorganic Chemistry & Applications, 2022, p. 1, doi. 10.1155/2022/8635054

By:

Jayaraj, John Marshal;
Jothimani, Muralidharan;
Palanisamy, Chella Perumal;
Pentikäinen, Olli T.;
Pannipara, Mehboobali;
Al-Sehemi, Abdullah G.;
Muthusamy, Karthikeyan;
Gopinath, Krishnasamy

Publication type:

Article

Atomistic simulations reveal impacts of missense mutations on the structure and function of SynGAP1.

Published in:

Briefings in Bioinformatics, 2024, v. 25, n. 6, p. 1, doi. 10.1093/bib/bbae458

By:

Ali, Aliaa E;
Li, Li-Li;
Courtney, Michael J;
Pentikäinen, Olli T;
Postila, Pekka A

Publication type:

Article

Virtual Screening Strategy to Identify Retinoic Acid-Related Orphan Receptor γt Modulators.

Published in:

Molecules, 2023, v. 28, n. 8, p. 3420, doi. 10.3390/molecules28083420

By:

Jokinen, Elmeri M.;
Niemeläinen, Miika;
Kurkinen, Sami T.;
Lehtonen, Jukka V.;
Lätti, Sakari;
Postila, Pekka A.;
Pentikäinen, Olli T.;
Niinivehmas, Sanna P.

Publication type:

Article

Coumarins as Tool Compounds to Aid the Discovery of Selective Function Modulators of Steroid Hormone Binding Proteins.

Published in:

Molecules, 2021, v. 26, n. 17, p. 5142, doi. 10.3390/molecules26175142

By:

Niinivehmas, Sanna;
Pentikäinen, Olli T.

Publication type:

Article

Improving Docking Performance Using Negative Image-Based Rescoring.

Published in:

Frontiers in Pharmacology, 2018, p. 1, doi. 10.3389/fphar.2018.00260

By:

Kurkinen, Sami T.;
Niinivehmas, Sanna;
Ahinko, Mira;
Lätti, Sakari;
Pentikäinen, Olli T.;
Postila, Pekka A.

Publication type:

Article

Inhibitory effects and oxidation of 6-methylcoumarin, 7-methylcoumarin and 7-formylcoumarin via human CYP2A6 and its mouse and pig orthologous enzymes.

Published in:

Xenobiotica, 2016, v. 46, n. 1, p. 14, doi. 10.3109/00498254.2015.1048327

By:

Juvonen, Risto O.;
Kuusisto, Mira;
Fohrgrup, Carolin;
Pitkänen, Mari H.;
Nevalainen, Tapio J.;
Auriola, Seppo;
Raunio, Hannu;
Pasanen, Markku;
Pentikäinen, Olli T.

Publication type:

Article

Ligand-Enhanced Negative Images Optimized for Docking Rescoring.

Published in:

International Journal of Molecular Sciences, 2022, v. 23, n. 14, p. 7871, doi. 10.3390/ijms23147871

By:

Kurkinen, Sami T.;
Lehtonen, Jukka V.;
Pentikäinen, Olli T.;
Postila, Pekka A.

Publication type:

Article

A Practical Perspective: The Effect of Ligand Conformers on the Negative Image-Based Screening.

Published in:

International Journal of Molecular Sciences, 2019, v. 20, n. 11, p. 2779, doi. 10.3390/ijms20112779

By:

Ahinko, Mira;
Kurkinen, Sami T.;
Niinivehmas, Sanna P.;
Pentikäinen, Olli T.;
Postila, Pekka A.

Publication type:

Article

Building shape-focused pharmacophore models for effective docking screening.

Published in:

Journal of Cheminformatics, 2024, v. 16, n. 1, p. 1, doi. 10.1186/s13321-024-00857-6

By:

Moyano-Gómez, Paola;
Lehtonen, Jukka V.;
Pentikäinen, Olli T.;
Postila, Pekka A.

Publication type:

Article

Structure of three tandem filamin domains reveals auto-inhibition of ligand binding.

Published in:

EMBO Journal, 2007, v. 26, n. 17, p. 3993, doi. 10.1038/sj.emboj.7601827

By:

Lad, Yatish;
Kiema, Tiila;
Jiang, Pengju;
Pentikäinen, Olli T;
Coles, Charlotte H;
Campbell, Iain D;
Calderwood, David A;
Ylänne, Jari

Publication type:

Article