Michael Shirts

@Michael_Shirts

Associate Professor of Chemical & Biological Engineering at . Molecular modeling methodology and applications with wiggling molecules. Views mine.

Vrijeme pridruživanja: studeni 2018.

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  1. 27. sij

    Congrats to Ben Coscia for his new publication! His work helped add some very nice theoretical justification to an interesting experimental nanostructured catalytic resin study:

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  2. 26. sij

    Thanks for all the great feedback, everyone! This is very useful!

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  3. 24. sij

    What engineering schools are there moving their computational mathematical instruction at the undergrad level away from MATLAB and towards Python? We're looking into this possibility at CU in chemical engineering, I'd love see what other schools are doing.

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  4. 8. sij

    I am currently interviewing for two exciting postdoctoral positions in my group, to look at transport in nanostructured separations membranes () and at nonbiological molecules that fold like proteins (). Summer starts are OK!

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  5. 8. sij

    Pascal will be building on his work on GROMACS modular propagators to develop new hybrid MC/MD functionality, in particular making it possible to use general collective variable spaces that emerge from machine learning approaches!

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  6. 8. sij

    Congratulations to postdoc Pascal Merz, for being awarded a MolSSI Investment Software Fellowship! !

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  7. 7. sij

    Doesn't histogramming simulations to construct potentials of mean force seem a bit suspect? Check out our new preprint in arXiv on a Bayesian framework to construct statistically optimal smooth, continuous PMFs from umbrella sampling simulations.

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  8. 17. pro 2019.

    The overall gender disparity in positive words isn't too big (12%). But interesting to see some words with higher frequencies (before correcting for other effects) that 'novel' is used by men 59% more . . .

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  9. 17. pro 2019.

    I do feel that there is, unfortunately, mostly upside in "upselling" the impact of research. Very hard to combat that without everyone taking more time to read papers and grants more carefully - and time is the thing that there is the biggest shortage of in science today.

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  10. 17. pro 2019.

    I feel there is very little new under the sun, and many claims of novelty just mean people didn't look through literature enough. So I wonder if the title of this (excellent!) article should be "Carry yourself with the confidence of a female scientist":

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  11. proslijedio/la je Tweet

    Issue 2 is now live! Includes a couple great tutorials, a software analysis paper, and two “Lessons learned” articles. Please RT! Blog post here: Issue here:

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  12. proslijedio/la je Tweet

    Check out our new article, Check out our new tutorial, “Modeling electrostatics in molecular biology: A tutorial of DelPhi and associated resources”,

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    10. stu 2019.

    No other textbook, and possibly no other book, will ever have a better opening paragraph than Goodstein's "States of Matter":

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    11. stu 2019.

    Excited to be recruiting a synthetic chemist who will design and create host-guest systems to challenge computation, act as drugs, or do other cool things!

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  15. proslijedio/la je Tweet
    9. stu 2019.

    We're looking for new postdocs! Please RT!

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  16. 11. stu 2019.

    Great work with student Nate Abraham leading off the session at AICHE on Computational Solid State Pharmaceutics!

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  17. 11. stu 2019.

    Very proud to be watching former PhD student present on his work at Pfizer since graduation!

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  18. 11. stu 2019.

    Two computational postdoc positions in the Shirts Group! One in nonbiological secondary structure thermodynamics () and another in solute transport in self-assembled nanoporous membranes (). Please pass along!

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  19. 30. lis 2019.

    New paper from grad student Nate Abraham in my group on anharmonicity in the thermodynamics of molecular crystals!

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  20. 30. lis 2019.

    Job listing for a computational protein design postdoc with a veterinary medicine company, but located right in my building at CU Boulder and with planned collaborations with me and other CU professors!

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