Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 18

1.

Getting Docking into Shape Using Negative Image-Based Rescoring.

Kurkinen ST, Lätti S, Pentikäinen OT, Postila PA.

J Chem Inf Model. 2019 Jul 24. doi: 10.1021/acs.jcim.9b00383. [Epub ahead of print]

PMID:
31290660
2.

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

Jokinen EM, Postila PA, Ahinko M, Niinivehmas S, Pentikäinen OT.

Chem Biol Drug Des. 2019 Jul 1. doi: 10.1111/cbdd.13584. [Epub ahead of print]

PMID:
31260165
3.

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

Ahinko M, Kurkinen ST, Niinivehmas SP, Pentikäinen OT, Postila PA.

Int J Mol Sci. 2019 Jun 6;20(11). pii: E2779. doi: 10.3390/ijms20112779.

4.

Discovery of Retinoic Acid-Related Orphan Receptor γt Inverse Agonists via Docking and Negative Image-Based Screening.

Rauhamäki S, Postila PA, Lätti S, Niinivehmas S, Multamäki E, Liedl KR, Pentikäinen OT.

ACS Omega. 2018 Jun 30;3(6):6259-6266. doi: 10.1021/acsomega.8b00603. Epub 2018 Jun 11.

5.

Negatively Charged Gangliosides Promote Membrane Association of Amphipathic Neurotransmitters.

Juhola H, Postila PA, Rissanen S, Lolicato F, Vattulainen I, Róg T.

Neuroscience. 2018 Aug 1;384:214-223. doi: 10.1016/j.neuroscience.2018.05.035. Epub 2018 Jun 1.

PMID:
29859975
6.

Improving Docking Performance Using Negative Image-Based Rescoring.

Kurkinen ST, Niinivehmas S, Ahinko M, Lätti S, Pentikäinen OT, Postila PA.

Front Pharmacol. 2018 Mar 26;9:260. doi: 10.3389/fphar.2018.00260. eCollection 2018.

7.

Blocking oestradiol synthesis pathways with potent and selective coumarin derivatives.

Niinivehmas S, Postila PA, Rauhamäki S, Manivannan E, Kortet S, Ahinko M, Huuskonen P, Nyberg N, Koskimies P, Lätti S, Multamäki E, Juvonen RO, Raunio H, Pasanen M, Huuskonen J, Pentikäinen OT.

J Enzyme Inhib Med Chem. 2018 Dec;33(1):743-754. doi: 10.1080/14756366.2018.1452919.

8.

Structure-Activity Relationship Analysis of 3-Phenylcoumarin-Based Monoamine Oxidase B Inhibitors.

Rauhamäki S, Postila PA, Niinivehmas S, Kortet S, Schildt E, Pasanen M, Manivannan E, Ahinko M, Koskimies P, Nyberg N, Huuskonen P, Multamäki E, Pasanen M, Juvonen RO, Raunio H, Huuskonen J, Pentikäinen OT.

Front Chem. 2018 Mar 2;6:41. doi: 10.3389/fchem.2018.00041. eCollection 2018.

9.

Calcium Assists Dopamine Release by Preventing Aggregation on the Inner Leaflet of Presynaptic Vesicles.

Mokkila S, Postila PA, Rissanen S, Juhola H, Vattulainen I, Róg T.

ACS Chem Neurosci. 2017 Jun 21;8(6):1242-1250. doi: 10.1021/acschemneuro.6b00395. Epub 2017 Mar 10.

PMID:
28165217
10.

Atomistic determinants of co-enzyme Q reduction at the Qi-site of the cytochrome bc1 complex.

Postila PA, Kaszuba K, Kuleta P, Vattulainen I, Sarewicz M, Osyczka A, Róg T.

Sci Rep. 2016 Sep 26;6:33607. doi: 10.1038/srep33607.

11.

Selective effect of cell membrane on synaptic neurotransmission.

Postila PA, Vattulainen I, Róg T.

Sci Rep. 2016 Jan 19;6:19345. doi: 10.1038/srep19345.

12.

Atomistic simulations indicate cardiolipin to have an integral role in the structure of the cytochrome bc1 complex.

Pöyry S, Cramariuc O, Postila PA, Kaszuba K, Sarewicz M, Osyczka A, Vattulainen I, Róg T.

Biochim Biophys Acta. 2013 Jun;1827(6):769-78. doi: 10.1016/j.bbabio.2013.03.005. Epub 2013 Mar 23.

13.

Key role of water in proton transfer at the Qo-site of the cytochrome bc1 complex predicted by atomistic molecular dynamics simulations.

Postila PA, Kaszuba K, Sarewicz M, Osyczka A, Vattulainen I, Róg T.

Biochim Biophys Acta. 2013 Jun;1827(6):761-8. doi: 10.1016/j.bbabio.2013.02.005. Epub 2013 Feb 18.

14.

Comparison of virtual high-throughput screening methods for the identification of phosphodiesterase-5 inhibitors.

Niinivehmas SP, Virtanen SI, Lehtonen JV, Postila PA, Pentikäinen OT.

J Chem Inf Model. 2011 Jun 27;51(6):1353-63. doi: 10.1021/ci1004527. Epub 2011 Jun 1.

PMID:
21591817
15.

Full and partial agonism of ionotropic glutamate receptors indicated by molecular dynamics simulations.

Postila PA, Ylilauri M, Pentikäinen OT.

J Chem Inf Model. 2011 May 23;51(5):1037-47. doi: 10.1021/ci2000055. Epub 2011 May 2.

PMID:
21500800
16.

Pharmacological activity of C10-substituted analogs of the high-affinity kainate receptor agonist dysiherbaine.

Lash-Van Wyhe LL, Postila PA, Tsubone K, Sasaki M, Pentikäinen OT, Sakai R, Swanson GT.

Neuropharmacology. 2010 Mar;58(3):640-9. doi: 10.1016/j.neuropharm.2009.11.013. Epub 2009 Dec 4.

17.

Exploring kainate receptor pharmacology using molecular dynamics simulations.

Postila PA, Swanson GT, Pentikäinen OT.

Neuropharmacology. 2010 Feb;58(2):515-27. doi: 10.1016/j.neuropharm.2009.08.019. Epub 2009 Sep 6.

18.

Full domain closure of the ligand-binding core of the ionotropic glutamate receptor iGluR5 induced by the high affinity agonist dysiherbaine and the functional antagonist 8,9-dideoxyneodysiherbaine.

Frydenvang K, Lash LL, Naur P, Postila PA, Pickering DS, Smith CM, Gajhede M, Sasaki M, Sakai R, Pentikaïnen OT, Swanson GT, Kastrup JS.

J Biol Chem. 2009 May 22;284(21):14219-29. doi: 10.1074/jbc.M808547200. Epub 2009 Mar 18.

Supplemental Content

Loading ...
Support Center