Pekka Postila
University Lecturer; Associate Professor / Docent; Ph.D.
pekka.postila@utu.fi : C642 |
Computer-aided drug discovery; virtual screening; molecular dynamics simulations; molecular modelling; structural bioinformatics
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- Atomistic determinants of co-enzyme Q reduction at the Q(i)-site of the cytochrome bc(1) complex (2016)
- Scientific Reports
- Identifying involvement of Lys251/Asp252 pair in electron transfer and associated proton transfer at the quinone reduction site of Rhodobacter capsulatus cytochrome bc(1) (2016)
- BBA - Bioenergetics
- Selective effect of cell membrane on synaptic neurotransmission (2016)
- Scientific Reports
- Atomistic simulations indicate cardiolipin to have an integral role in the structure of the cytochrome bc(1) complex (2013)
- BBA - Bioenergetics
- Key role of water in proton transfer at the Q(o)-site of the cytochrome bc(1) complex predicted by atomistic molecular dynamics simulations (2013)
- BBA - Bioenergetics
- Parameterization of the prosthetic redox centers of the bacterial cytochrome bc(1) complex for atomistic molecular dynamics simulations (2013)
- Theoretical Chemistry Accounts: Theory, Computation, and Modeling
- Comparison of Virtual High-Throughput Screening Methods for the Identification of Phosphodiesterase-5 Inhibitors (2011)
- Journal of Chemical Information and Modeling
- Full and Partial Agonism of Ionotropic Glutamate Receptors Indicated by Molecular Dynamics Simulations (2011)
- Journal of Chemical Information and Modeling
- Exploring kainate receptor pharmacology using molecular dynamics simulations (2010)
- Neuropharmacology
- Pharmacological activity of C10-substituted analogs of the high-affinity kainate receptor agonist dysiherbaine (2010)
- Neuropharmacology
- 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 (2009)
- Journal of Biological Chemistry
- Novel analogs and stereoisomers of the marine toxin neodysiherbaine with specificity for kainate receptors (2008)
- Journal of Pharmacology and Experimental Therapeutics
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