Martin McCullagh

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

[Virginia Tech Chemistry @VTChemDept]

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:
➡️https://t.co/LFJD2KTeRx
➡️https://t.co/A48LLSRloR

[Yu-Shan Lin @Yu_Shan_Lin]

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! https://t.co/L0ylhI8ovv

[ProfAMo @amorri28]

Join us! We are doing awesome things!

[dana_peer @dana_peer]

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 ->

[Martin McCullagh @MartinMcCullag1]

@HeidiKlem Great talk!

[Heidi Klem @HeidiKlem]

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! https://t.co/0sOTeL7Lnu
#ACSFall2024 @ACSCOMP @ACSCINF

[Martin McCullagh @MartinMcCullag1]

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!
https://t.co/eFPIM8Kpbc

[Martin McCullagh @MartinMcCullag1]

@jiahua_deng Congratulations! Well deserved I am sure!

[Giulia Palermo @palermo_lab]

🔴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
https://t.co/Iek80sCmhI

[Martin McCullagh @MartinMcCullag1]

@tiwarylab @ShamsMehdi__ Great talk! Gives me plenty to think about!

[Miranda Quintana Group @GroupQuintana]

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!

[Martin McCullagh @MartinMcCullag1]

@GroupQuintana @lexinc_ @UFChemistry I recognize part of that slide!

[ACS COMP @ACSCOMP]

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: https://t.co/xQDuglA23M

[Martin McCullagh @MartinMcCullag1]

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]

Just put up my poster #BPS2024. I will present subpart of a recently published work of @MartinMcCullag1 lab: https://t.co/yDejHQIED6. Interested people, please stop by to my poster B21. We can discuss using Shape-GMM to cluster your protein simulation.

[Martin McCullagh @MartinMcCullag1]

@XuhuiHuangChem @UWMadBiophysics @BiophysicalSoc @moconnor564 Hi Xuhui, looks interesting. Unfortunately I won’t be at BPS this year but am interested to learn more. My group is also interested in allostery in proteins. Perhaps we can chat sometime.

[Martin McCullagh @MartinMcCullag1]

@LindorffLarsen @TomMcLean05 Hilarious

[Martin McCullagh @MartinMcCullag1]

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]

Quantifying Unbiased Conformational Ensembles from Biased Simulations Using ShapeGMM https://t.co/wy2oCL9VXp #bioRxiv

[Glen Hocky @glenhocky]

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: https://t.co/mOfy4LFF5Z

[Martin McCullagh @MartinMcCullag1]

@adrian_roitberg @Jeff_Raker @MollyBAtkinson

[Martin McCullagh @MartinMcCullag1]

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.

[Martin McCullagh @MartinMcCullag1]

The most recent preprint from the McCullagh group: Motif-VI Loop Acts as a Nucleotide Valve in the West Nile Virus NS3 Helicase https://t.co/uAidihE7BD

Very nice work by @RoyPriitii demonstrating the valve-like nature of motif VI in WNV NS3!