@nyuchemistry | alumnus of @UChiChemistry and @ChemColumbia Developing and using molecular simulation methods, also tweeting about it

New York, USA
Joined August 2009
Glen Hocky retweeted
This is to inform you of a virtual workshop on "Machine Learning in Chemistry," which features four invited speakers, Adrian Roitberg, Christine Isborn, Connor Coley, and Brett Savoie and is scheduled on Oct 29, 2021 (11 am - 1pm). Here is the link. itsatcuny.org/calendar//mach…
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Glen Hocky retweeted
📢it's official: PLUMED Masterclass has been renewed for a second season starting January 2022 with an outstanding cast of guest stars 📢 Stay tuned for more info!
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Glen Hocky retweeted
Check out our @UCB_Chemistry Math Bootcamp! A one-week course we launched in 2020 to build incoming PhD students’ skills and confidence solving math problems. Find our content at chemmathbootcamp.com. @pleplostelous @orion__archer @elliotrossomme Rachel Clune
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Glen Hocky retweeted
1/n This morning Giorgio Parisi was awarded the Nobel Prize in Physics. The citation mentions 'for groundbreaking contributions to our understanding of complex physical systems' but this does not give any indication of the real content or importance of his work.
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Friendly alert to all my #compchem friends-NYU Chemistry is still/again doing a comp/theory faculty search, supported in part by the Simons Foundation possibly joint with Physics. If you're on the market, please apply by Oct 15! apply.interfolio.com/92277
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Glen Hocky retweeted
NYU Chemistry Chemical Biology Faculty Search! as.nyu.edu/chemistry/news/fa…
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Announcing Natural Language Computation Chemistry CLI (nlcc)! @glenhocky and I have packaged some common computational chemistry tasks into a new command line tool that uses natural language instead of code via @OpenAI CODEX github.com/whitead/nlcc
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Amazing new work from Zhe and Ted - check it out!
Have you seen a colloidal particle eating up bacteria? invidio.us/watch?v=tJPTpzkm…
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. @andrewwhite01 and I were really excited to tell everyone our perspective on the promise of LLMs in Chemistry. Now I'm even more excited for the science we and our groups are hoping to do with and around it!
1/6 For the last few months @glenhocky and I have been asking what large language models (LLM) can do for chemistry. In our new preprint, we show LLMs know a bit of chemistry and can do a lot: like compute the dissociation curve of H2. arxiv.org/abs/2108.13360
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Here's a teaser of our new CLI for doing comp chem with natural language called nlcc 🎉🎉 Can't wait to share this project and related work. Soon!! Working with @glenhocky @fxvzquez on this one
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Wow, @ChemColumbia power trio!
Job searching season is getting underway! Check out this important panel next Monday for queer job seekers and allies in chemistry! upenn.zoom.us/meeting/regist…
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The Schroeder lab website is live! The lab will be opening Nov. 1 at UTSW and I’m currently recruiting enthusiastic trainees of all career phases, including technicians, grad students and postdocs. Please RT and spread the word! @UTSWNews @UTSWGradSchool theschroederlab.org/
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Alphafold does a surprisingly reasonable job on an important stretch activated bacterial membrane channel (MscL), with similar but not same topology as the PDB (2oar), with MSA but no template
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In case you wondered what MSA really gives you (I did), compare to these completely different (low confidence) predictions
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GIF
This protein is a homo-pentamer. If you want to know what happens when you don't take that into account, see the AF server prediction alphafold.ebi.ac.uk/entry/P9…
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Glen Hocky retweeted
Congratulations to Prof. Simunovic (@MijoSimunovic) who was awarded a grant from the Burroughs-Wellcome Fund (@BWFUND) for his work entitled "Dissecting the signaling and biomechanics of embryo implantation and failure using quantitative organoids of early human embryogenesis"
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Glen Hocky retweeted
I am thrilled to share that I am joining Notre Dame Department of Chemistry and Biochemistry @NDscience as an Assistant Professor! Many thanks to my friends, colleagues, and mentors, especially my advisors Joe Subotnik, Abe Nitzan @PennChemistry, and Dave Reichman @ChemColumbia.
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