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Posts tagged with "In Silico"

  • Business and Markets

    Knock Six Years Off Your Timeline. Um.

    There’s only one honest answer to the question “How long does it take to develop a new drug?”, and that’s “Too @#$! long”. In the same way, the only honest answer to “What are the average chances for a drug candidate’s success?” is “Too @#$! low”. The combination of those two factors… Read More
  • Analytical Chemistry

    Nature Doesn’t Abhor a Vacuum As Much As You’d Think

    I wrote some years ago about the case of a protein that seemed to have a completely empty binding pocket – empty, as in not even any water molecules hanging around in there. There are a number of these known, and there’s a lot of arguing about them among both experimental and computational chemists. You’d… Read More
  • Drug Assays

    Model This?

    Via Ash Jogalekar on Twitter, I came across this new paper from researchers at AstraZeneca (and collaborators in Sweden, the UK, and Denmark) on the synthesis and activity of some plasmin inhibitors. Plasmin is an anticoagulation target, and has a lysine-binding site in its Kringle-1 domain (yeah, that’s the real name) that is the site of… Read More
  • Drug Assays

    Software Eats the World, But Biology Eats It

    I can strongly recommend this Bruce Booth post at LifeSciVC on computational models in drug discovery. He’s referencing Marc Andreessen’s famous “Why Software Is Eating the World” essay when he titles his “Four Decades of Hacking Biotech and Yet Biology Still Consumes Everything”. To tell you about where Bruce i… Read More
  • Drug Assays

    Free Compounds, Chosen By Software

    Here’s how the press release starts, and I’ll say this for it, it does get the reader’s attention: “Atomwise Inc. seeks proposals from innovative university scientists to receive 72 potential medicines, generated specifically for their research by artificial intelligence.” As you’d imagine, this is the sort of th… Read More
  • Drug Assays

    The ACS Journals Tighten Up Screening Standards

    Here’s an article (free access) in ACS Central Science on assay interference compounds, a contentious topic that has been aired here (and in many other places). This one, though, is authored by the editors-in-chief of all the relevant ACS journals and is appearing in all of them as well. People will argue about some of… Read More
  • Biological News

    The Microbiome and Human Obesity: Wait a Minute

    For the last few years, it has been impossible to escape talk of the microbiome – the associated bacteria (and other organisms) that live in and on the human body. Overall, this attention has been a good thing, since it’s made people aware of just how bacteria-laden we are (not that everyone finds that a… Read More
  • Cancer

    An IBM-Watson Collaboration Goes Under

    I’ve written several times about IBM’s Watson machine learning system and its potential applications to health care. To be honest, many of these applications sound unlikely, at least at present, and that skepticism doesn’t apply only to IBM by any means. Now word comes that a collaboration between IBM and the M. D. Anderson peopl… Read More
  • In Silico

    The Flightosome

    I got this diagram from Arjun Raj‘s Twitter feed, and I think I enjoy it a bit more every time I see it. Some of that is because it’s a big part of what I was trying to get across in this column, but I think that the sketch does a more thorough job of… Read More
  • In Silico

    Unicorn Software for Drug Discovery

    So here’s the dream. You sit down at the keyboard and load a file of the structure of your new drug target – you’ve discovered that inhibition of Whateverase II or a ligand for the Type IV Whazzat receptor would be a good candidate for modifying some disease. You type out a few commands, and… Read More