@AlexandervanTe1

Postdoc at the University of Strathclyde

Joined March 2020
  • Tweets20
  • Following55
  • Followers32
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Alexander van Teijlingen retweeted
TuttleLab@TuttleLab3 Mar 2023
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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Alexander van Teijlingen retweeted
TuttleLab@TuttleLab2 Feb 2023
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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Check out this account on OpenSea opensea.io/assets/0x495f9472… via @opensea
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.@ChrisStephens as my MP, please oppose the #PolicingBill It will give police more powers to shut down protest, stop and search without suspicion, and criminalise Gypsy and Traveller communities. #PoliceCrackdownBill xitter.cf/ByeGarry/status/141062…
Alexander van Teijlingen retweeted
TuttleLab@TuttleLab28 Apr 2021
Hot off the press... being able to search for peptides longer than 3 amino acids has always been a goal - our new ML approach now makes that possible! pubs.acs.org/doi/abs/10.1021… @AlexandervanTe1 #MachineLearning #CoarseGraining #MLCG
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Alexander van Teijlingen retweeted
Alon Aviram@AlAviram23 Mar 2021
Commander steps into remind officer that it’s not advisable to manhandle journalists after this incident #bristol
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Alexander van Teijlingen retweeted
Elizabeth Sankey@sankles13 Mar 2021
I feel sick
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Alexander van Teijlingen retweeted
Karla Adam@karlaadam13 Mar 2021
Scuffles break out at Clapham Common memorial for Sarah Everard as people chant “arrest your own.”
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Alexander van Teijlingen retweeted
Thing Bad@Merman_Melville22 Feb 2021
kind of a bummer to have been born at the very end of the Fuck Around century just to live the rest of my life in the Find Out century
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Resubmission for #AIChem20posters with the correct hashtag this time.
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Ahh sorry i misunderstood. During the CGMD simulation there are 300 peptides in the simulation box. The datasets are 8000 (20^3) for tripeptides, up to 64,000,000 (20^6) for hexapeptides.
Sudarshan@sudarshanb25925 Aug 2020
Replying to @AlexandervanTe1
Thanks. With a dataset of 300, you are able to capture the feature-target relationship to a good extend. Great!
3. This is the interesting part, that it does aggregate despite being soluble (at least as far as log P < 0 = soluble) means the molecules are interacting in an attractive fashion in the way we would expect for a self-assembling nanomaterial.
Sudarshan@sudarshanb25925 Aug 2020
Replying to @sudarshanb259 @AlexandervanTe1 @scotch_research
3. A basic question. When you write "a soluble hexapeptide that aggregates in water" in Figure 2, is it soluble in water? If so, how can it still form aggregates?
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2. sum(SP2) is the total number of SP2 carbon atoms, max ASA and Bulkiness are described in the references listed, twitter character limit ties my hands a bit here. Briefly, maxASA is the highest ASA for an amino acid in the tripeptide Gly-X-Gly in all biophysical conformations.
Sudarshan@sudarshanb25925 Aug 2020
Replying to @sudarshanb259 @AlexandervanTe1 @scotch_research
2. In the Judred parameters, what does sum(SP2) means? Is it the total number of SP2 hybridized atoms? What is Max SASA and how do you define bulkiness?
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Sudarshan@sudarshanb25925 Aug 2020
Replying to @AlexandervanTe1 @scotch_research
Interesting work. I want some clarifications to understand the work better. 1. How many peptides, in total, have you considered for 50ns CGMD run?
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My poster submission for #ScotCHEM2020, Beyond tripeptides - how machine learning can help to reduce computational search spaces, particularly in the field of peptide self-assembly. PDF version with clickable links: strathcloud.sharefile.eu/d-s… @scotch_research
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Alexander van Teijlingen retweeted
@travis.hesketh.scot on Bsky@t_sketh17 May 2020
Hi all, here is myself and @RoxyPiotrowska's submission for @syschem20 based on our work on WR tripeptide crystals! @asrc_gc @StrathChem @UlijnGroup @TuttleLab doi.org/10.5281/zenodo.38307… youtube.com/watch?v=lTUFC4MR… #syschemposter #realtimechem
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Beyond tripeptides - machine learning and self-assembly #syschemposter personal.strath.ac.uk/alexan…
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Size-dependent melting point depression of nickel nanoparticles - now published in Nanoscale Advances pubs.rsc.org/en/content/arti…

Size-dependent melting point depression of nickel nanoparticles†

We investigate the phase-transition behaviour of nickel nanoparticles (3–6 nm) via dynamic TEM. The nanoparticles were synthesized within a reverse microem

pubs.rsc.org
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