Atomistic simulations indicate cardiolipin to have an integral role in the structure of the cytochrome bc1 complex S Pöyry, PA Postila, O Cramariuc, K Kaszuba, I Vattulainen, M Sarewicz, ... Biophysical Journal 104 (2), 431a, 2013 | 80 | 2013 |
A Perspective: Active Role of Lipids in Neurotransmitter Dynamics PA Postila, T Róg Molecular Neurobiology, 2019 | 79 | 2019 |
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 … K Frydenvang, LL Lash, P Naur, PA Postila, DS Pickering, CM Smith, ... Journal of Biological Chemistry 284 (21), 14219-14229, 2009 | 63 | 2009 |
Key role of water in proton transfer at the Qo-site of the cytochrome bc1 complex predicted by atomistic molecular dynamics simulations PA Postila, K Kaszuba, M Sarewicz, A Osyczka, I Vattulainen, T Róg Biochimica et Biophysica Acta (BBA)-Bioenergetics 1827 (6), 761-768, 2013 | 53 | 2013 |
Selective effect of cell membrane on synaptic neurotransmission PA Postila, I Vattulainen, T Róg Scientific reports 6 (1), 19345, 2016 | 51 | 2016 |
Structure-activity relationship analysis of 3-phenylcoumarin-based monoamine oxidase B inhibitors S Rauhamäki, PA Postila, S Niinivehmas, S Kortet, E Schildt, M Pasanen, ... Frontiers in chemistry 6, 41, 2018 | 46 | 2018 |
Comparison of virtual high-throughput screening methods for the identification of phosphodiesterase-5 inhibitors SP Niinivehmas, SI Virtanen, JV Lehtonen, PA Postila, OT Pentikäinen Journal of chemical information and modeling 51 (6), 1353-1363, 2011 | 37 | 2011 |
Novel analogs and stereoisomers of the marine toxin neodysiherbaine with specificity for kainate receptors LL Lash, JM Sanders, N Akiyama, M Shoji, P Postila, OT Pentikäinen, ... Journal of Pharmacology and Experimental Therapeutics 324 (2), 484-496, 2008 | 36 | 2008 |
Full and partial agonism of ionotropic glutamate receptors indicated by molecular dynamics simulations PA Postila, M Ylilauri, OT Pentikäinen Journal of chemical information and modeling 51 (5), 1037-1047, 2011 | 31 | 2011 |
Blocking oestradiol synthesis pathways with potent and selective coumarin derivatives S Niinivehmas, PA Postila, S Rauhamäki, E Manivannan, S Kortet, ... Journal of enzyme inhibition and medicinal chemistry 33 (1), 743-754, 2018 | 30 | 2018 |
Atomistic determinants of co-enzyme Q reduction at the Qi-site of the cytochrome bc1 complex PA Postila, K Kaszuba, P Kuleta, I Vattulainen, M Sarewicz, A Osyczka, ... Scientific Reports 6 (1), 33607, 2016 | 29 | 2016 |
Parameterization of the prosthetic redox centers of the bacterial cytochrome bc 1 complex for atomistic molecular dynamics simulations K Kaszuba, PA Postila, O Cramariuc, M Sarewicz, A Osyczka, ... Theoretical Chemistry Accounts 132, 1-13, 2013 | 29 | 2013 |
Improving docking performance using negative image-based rescoring ST Kurkinen, S Niinivehmas, M Ahinko, S Lätti, OT Pentikäinen, ... Frontiers in pharmacology 9, 260, 2018 | 28 | 2018 |
Exploring kainate receptor pharmacology using molecular dynamics simulations PA Postila, GT Swanson, OT Pentikäinen Neuropharmacology 58 (2), 515-527, 2010 | 28 | 2010 |
Membrane-dependent binding and entry mechanism of dopamine into its receptor F Lolicato, H Juhola, A Zak, PA Postila, A Saukko, S Rissanen, G Enkavi, ... ACS chemical neuroscience 11 (13), 1914-1924, 2020 | 26 | 2020 |
Getting Docking into Shape Using Negative Image-Based Rescoring ST Kurkinen, S Lätti, OT Pentikäinen, PA Postila Journal of Chemical Information and Modeling, 2019 | 26 | 2019 |
Identifying involvement of Lys251/Asp252 pair in electron transfer and associated proton transfer at the quinone reduction site of Rhodobacter capsulatus cytochrome bc1 P Kuleta, M Sarewicz, P Postila, T Róg, A Osyczka Biochimica et Biophysica Acta (BBA)-Bioenergetics 1857 (10), 1661-1668, 2016 | 22 | 2016 |
Negatively charged gangliosides promote membrane association of amphipathic neurotransmitters H Juhola, PA Postila, S Rissanen, F Lolicato, I Vattulainen, T Róg Neuroscience 384, 214-223, 2018 | 21 | 2018 |
Calcium assists dopamine release by preventing aggregation on the inner leaflet of presynaptic vesicles S Mokkila, PA Postila, S Rissanen, H Juhola, I Vattulainen, T Rog ACS chemical neuroscience 8 (6), 1242-1250, 2017 | 20 | 2017 |
A practical perspective: The effect of ligand conformers on the negative image-based screening M Ahinko, ST Kurkinen, SP Niinivehmas, OT Pentikäinen, PA Postila International Journal of Molecular Sciences 20 (11), 2779, 2019 | 13 | 2019 |