@TuttleLab

News and updates from the group's research activities in theoretical and computational chemistry.

 Strathclyde Uni., Glasgow
tuttlelab.com
Joined June 2011
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  • Following131
  • Followers297
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Happy to see our collaborative work with the Reches Group on switchable peptide emulsions is now available online: authors.elsevier.com/c/1igrk… Congratulations @AlexandervanTe1 🥂 need a multifunctional drug delivery system? - minimal peptides to the rescue 😀
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Very pleased to announce my promotion to Professor. A massive thank you to each and every member who has come through my group I could not have done this without you. I only hope I can support you all in your own careers over the years. Also thank you to all my reviewers 💜
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Alkali Metal Dihydropyridines in Transfer Hydrogenation Catalysis of Imines: Amide Basicity versus Hydride Surrogacy (Robert E. Mulvey and co-workers) @SDRobertsonChem @remulveygroup @mynameissumanta @TuttleLab #openaccess onlinelibrary.wiley.com/doi/…
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We are recruiting to our prestigious Chancellors Fellow programme. strathvacancies.engageats.co…
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Replying to @AlexandervanTe1
@AlexandervanTe1 account on how changes in Martini have affected the modelling of short peptide self assembly in water is out now in Acc. Chem. Res. excellent input from an undergrad project students who is also an author… @scotch_research @StrathChem pubs.acs.org/doi/10.1021/acs…

Short Peptide Self-Assembly in the Martini Coarse-Grain Force Field Family

Conspectus. Pivotal to the success of any computational experiment is the ability to make reliable predictions about the system under study and the time re

pubs.acs.org
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Replying to @EvansLauren20 @HoskinsLab
Great poster, even better puns 😂🤩
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Our collaborative review (@UlijnGroup @maithreyirtea @AlexandervanTe1) on the collaborative design of peptide-based materials and complex systems is out now... onlinelibrary.wiley.com/doi/… @StrathChem @asrc_gc @ASRCnanoscience

Integrating Computation, Experiment, and Machine Learning in the Design of Peptide‐Based Supramol...

Peptides have many potential applications as building blocks in materials science and biomedicine since they organise into supramolecular structures. Advances in computational chemistry enable the...

onlinelibrary.wiley.com
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Rapid Automated Quantification of Triacylglyceride Crystallinity in #MolecularDynamics Simulations #MolecularSimulations pubs.acs.org/doi/10.1021/acs… @foodiescientist @TuttleLab #vol62 #issue22 #JCIM #compchem
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Replying to @RoseMcHardy @FowlesDan @2AUK_C @palmerchem
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My first paper is out! 📰 So great to see some of the work I did at the beginning of my PhD come to fruition. Take a read of the paper with @FowlesDan @2AUK_C and @palmerchem here: pubs.rsc.org/en/content/arti…

Accurately predicting solvation free energy in aqueous and organic solvents beyond 298 K by...

We report a method to predict the absolute solvation free energy (SFE) of small organic and druglike molecules in water, carbon tetrachloride and chlorofor

pubs.rsc.org
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🌡️Hot off the press 🌡️ The latest publication from the Tuttle Lab features metrics for measuring crystallinity including a new metric, the near-neighbour occupancy time. Check it out in J. Chem. Inf. Model. here: pubs.acs.org/doi/full/10.102…
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Congratulations to @SwansonHamish for his presentation at the Carnegie Scholars Meeting last week in Edinburgh! 🎉 tuttlelab.com/hamish-captiva…
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Big congratulations to Clare and the rest of the Strathclyde Medal winners! Hugely deserved 🎉
Clare Hoskins@HoskinsLab18 Oct 2022
Some photos from the Strathclyde Medals last week @StrathChem #EDI & #Quilts4Cancer
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Replying to @HoskinsLab @EvansLauren20
@HoskinsLab @EvansLauren20
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Please check out our study on a conductive GO-protein composite to develop surgical dressings to both treat melanoma and enhance wound healing, with @TuttleLab @AlexandervanTe1 @RC_Bioforge @ERC_Research @UoN_RMCT @UoN_BDI @UoNEngineering @UKRMP_Smart doi.org/10.1002/adfm.2022058…
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@TuttleLab at @watoc2020 (22) congrats @SwansonHamish and @AlexandervanTe1 on some outstanding posters… lots of interest in the work tonight 🤩🤩🤩👏👏👏 – at Vancouver, British Columbia
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The role of local pH in self assembly… development of a new method to put a computational lens on a classic paper from @UlijnGroup pubs.acs.org/doi/10.1021/acs… @StrathChem @scotch_research

Constant pH Coarse-Grained Molecular Dynamics with Stochastic Charge Neutralization

Abstract. pH dependence abounds in biochemical systems; however, many simulation methods used to investigate these systems do not consider this property. U

pubs.acs.org
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We are recruiting for the role of Chancellor's Fellow! If you are an ambitious & innovative early career academic, with expertise in the areas of computational and theoretical chemistry, we encourage you to apply to join our internationally renowned team strath.ac.uk/workwithus/stra…
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