@MartinMcCullag1 profile picture
Martin McCullagh @MartinMcCullag1

Assistant Professor of Chemistry, Oklahoma State University, he/him

Joined April 2018
  • Tweets 206
  • Following 184
  • Followers 304
14 Photos and videos
RT @VTChemDept: The Virginia Tech Chemistry Department is hiring for two tenure-track faculty positions! Join the HokieChemistry Family and…
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Martin McCullagh retweeted
Yu-Shan Lin@Yu_Shan_Lin
9 Sep 2024
Dept of Chem at @TuftsUniversity  is hiring a TT faculty member at the rank of Assoc Prof, or at the rank of Assist Prof w/ a clear potential for promotion to Assoc Prof in <3 yrs, in any area of chemistry related to human health! apply.interfolio.com/153780

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Martin McCullagh retweeted
ProfAMo@amorri28
4 Sep 2024
Join us! We are doing awesome things!
Virginia Tech Chemistry@VTChemDept
4 Sep 2024
The Virginia Tech Chemistry Department is hiring for two tenure-track faculty positions! Join the HokieChemistry Family and work alongside world-class researchers and teachers. Apply today: ➡️careers.pageuppeople.com/968… ➡️careers.pageuppeople.com/968…
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Martin McCullagh retweeted
dana_peer@dana_peer
28 Aug 2024
Completely agree with the analysis by @CalebLareau and @LeifLudwig and wish to add something more general. It is very easy to compute things, programming is only becoming easier. But it is much harder and more nuanced to derive correct and sound conclusions from computation ->
Caleb Lareau
@CalebLareau
28 Aug 2024
Thank you @chenweng1991, @jswlab, @bloodgenes for the feedback on our work. @LeifLudwig and I agree that the “-2” filtering method that mitigates edge bias is a critical development for ReDeeM. Nevertheless, we stand by our original preprint, noting the following: 1/n
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Heidi Klem@HeidiKlem
18 Aug 2024
Are you interested in QM-based enzyme modeling? Come to my talk at 10:10 am in Bluebird Ballroom 2G today to learn about the Python program I have been developing! qmzyme.readthedocs.io/en/lat… #ACSFall2024 @ACSCOMP @ACSCINF
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Our paper on Motif VI-loop acting as a nucleotide valve in WNV NS3 is now out in @NAR_Open. Work done by my excellent postdoc @RoyPriitii and in collaboration with @ramagelab and her student Zach! academic.oup.com/nar/advance…

Motif-VI loop acts as a nucleotide valve in the West Nile Virus NS3 Helicase

Abstract. The Orthoflavivirus NS3 helicase (NS3h) is crucial in virus replication, representing a potential drug target for pathogenesis. NS3h utilizes nuc

academic.oup.com
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Martin McCullagh retweeted
Giulia Palermo@palermo_lab
18 Mar 2024
🔴APPLY & RETWEET Happy to organize the 2024 @NSF Early Career Workshop in #chemistry to mentor young PIs on how to craft research proposals. If you are plan to write your #NSFCAREERAWARD APPLY!📌 You'll get mentorship form #CAREER awardees & NSF POs nsfcareerworkshop.com
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Miranda Quintana Group@GroupQuintana
15 Mar 2024
1/n Our group's presence at #ACSSpring2024! Together with @RosyCers we'll organize a #CINF session on Unsupervised Learning. Sunday 8-11 am, 2-5:30 pm. Drop by to hear from @MartinMcCullag1, @cbergonz, @tiwarylab, @CecClementi, @ltchong, @Al__Perez, and many more!
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Martin McCullagh retweeted
ACS COMP@ACSCOMP
18 Feb 2024
Applications for the COMP awards for the Fall 2024 @AmerChemSociety National Meeting (August 18-22, 2024, Denver CO) are now open! The deadline for awards applications is Midnight March 10, AoE Learn about our awards here: acscomp.org/awards
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If you are at #BPS2024 and interested in motor proteins, structural clustering, allostery, conformational induction vs selection, please go see @RoyPriitii’s poster!
Priti Roy@RoyPriitii
13 Feb 2024
Just put up my poster #BPS2024. I will present subpart of a recently published work of @MartinMcCullag1 lab: pubs.acs.org/doi/abs/10.1021…. Interested people, please stop by to my poster B21. We can discuss using Shape-GMM to cluster your protein simulation.
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Ever wanted to cluster directly from enhanced sampling simulations? Ever wanted to compute thermodynamic quantities from your clustering? Check out this preprint, the latest collaboration between my group and the @glenhocky's group! @Subarna_sasmal #compchem
bioRxiv@biorxivpreprint
25 Jan 2024
Quantifying Unbiased Conformational Ensembles from Biased Simulations Using ShapeGMM biorxiv.org/cgi/content/shor… #bioRxiv
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Martin McCullagh retweeted
Glen Hocky@glenhocky
5 Jan 2024
Summer undergrad research opportunity! Applications are open to participate in computational physical chemistry research with faculty in the @SimonsCenterNYU - includes $10K stipend - see this link for more information: wp.nyu.edu/sccpc/summer-unde…
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The most recent preprint from the McCullagh group: Motif-VI Loop Acts as a Nucleotide Valve in the West Nile Virus NS3 Helicase biorxiv.org/content/10.1101/… Very nice work by @RoyPriitii demonstrating the valve-like nature of motif VI in WNV NS3!

Motif-VI Loop Acts as a Nucleotide Valve in the West Nile Virus NS3 Helicase

The flavivirus NS3 helicase (NS3h), a highly conserved protein, plays a pivotal role in virus replication and thus represents a potential drug target for flavivirus pathogenesis. NS3h utilizes...

biorxiv.org
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Forgot to mention this is also in collaboration with @ramagelab! Their replicon assays of our proposed mutations help to corroborate the functional role of the motif VI loop.
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@CisnerosRes and I are hosting a symposium at SWRM 2023 (@swrmacs) tomorrow! Great lineup of speakers... @abhisekhsingha1 @hedi_65 @LiangRuibin @RoyPriitii
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Also thanks to our generous sponsors: @JCIM_JCTC, @ACSCOMP, and @ACSPHYSDivision
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Martin McCullagh retweeted
Folding@home@foldingathome
10 Nov 2023
Replying to @covid_moonshot @ScienceMagazine @openmm_toolkit @openforcefield @nvidia @AMD @WHO @DNDi
Our antivirals work equally well against #SARSCoV1 as they do against #SARSCoV2 because they share the same protease. Had we invested early to discover antivirals after the 2006 SARS epidemic, we could have blunted the impact of the #SARSCov2 pandemic!
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Martin McCullagh retweeted
CSU Department of Chemistry@csu_chemistry
12 Oct 2023
Apply now to our Summer 2024 REU Program! chem.colostate.edu/summer-pr… #CSU #csuchemistry #coloradostate #REUProgram #research
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Martin McCullagh retweeted
Dr. Liz McCullagh@ZaarlyLiz
10 Oct 2023
We had a busy summer in the McCullagh lab, one of the highlights was getting the #soundofscience interactive museum exhibit started with @KICKERaudio. Read all about what we created on the blog: elizabethmccullagh.wordpress… thanks to a community engagement grant from @casresearchosu

Sound of Science Update

This summer, Dr. McCullagh’s Lab partnered with Kicker to bring the Sound of Science to schools and the public to learn about how sound works. Both Cameron Miller and I, Peyton Williams, were hired…

elizabethmccullagh.com
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Martin McCullagh retweeted
Robert Paton@bobbypaton
4 Oct 2023
We are looking for a new colleague @csu_chemistry in Experimental Physical or Bioanalytical Chemistry: jobs.colostate.edu/postings/…
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Martin McCullagh retweeted
Cecilia Clementi@CecClementi
4 Oct 2023
Now accepting applications for a postdoctoral position in my group at Freie Universität Berlin. Come join us! fu-berlin.de/universitaet/be…
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