• Opioids: Efficacy versus bias

    Low intrinsic efficacy for G protein activation can explain the improved side effect profiles of new opioid agonists

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  • A new lipid force-field called FUJI.

    Here’s just a repost of an abstract on a “new” lipid force-field. One maybe should better say a new derivative force-field, or a modified existing force-field to be more accurate. What’s most interesting is the claim that a fully quantum mechanics based parametrization results in properties acceptably close to experimental values.

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  • Reducing a 27 step synthesis to 9 steps using Comp. Chem.

    Researchers at Yale, using what they call “DFT augmented retrosynthesis” reduce to one third the steps needed to synthesize paspaline A. They synthesize it in 9 steps. They also provide a route for the first synthesis of emindole PB in 13 steps. This is done at Timothy Newhouse’s lab. now at Yale University. Newhouse was a post-doc with E. J. Corey who won the Nobel prize in chemistry in 1990 for his development of retrosynthesis.

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  • pymol tricks

    I am a bit embarrassed to confess how long I have been using pymol for. It’s certainly been quite a long time, somewhere around ten years. In those years I’ve compiled my own cheat-sheet, which I have abandoned somewhat. Now I’m giving a go to markdown and translating my old cheat sheet into a new one but with the same old tricks.

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  • jmb and cell I

    We are meeting once a week to do a fast review of the GPCR literature. I have selected to review the Journal of Molecular Biology (JMB), and Cell Journal.

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  • a blogging ultimate solution

    This blog will deal with RNA, DNA, and G-Protein Coupled Receptors (GPCR’s) in all of the dimensions known to its author.

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  • Molecule of the day -- Zolpidem

    This is an old post already from 2015 which I wrote elsewhere and which I’m copying here to test the usage of my new markdown based blogging solution.

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  • Argonaute I and Argonaute II

    Structure of Yeast Argonaute with Guide RNA
    Kotaro Nakanishi, David E. Weinberg, David P. Bartel, Dinshaw J. Patel
    Nature (2012), 486, 368-373

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  • More Insights into RNA Silencing. The Structure of Argonaute 2 at 2.3 Ångström Resolution.

    The Crystal Structure of Human Argonaute2
    Nicole T. Schirle and Ian J. Macrae
    Science (2012), 336, 1037

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