Size-dependent melting point depression of nickel nanoparticles - now published in Nanoscale Advances pubs.rsc.org/en/content/art…

Beyond tripeptides - machine learning and self-assembly #syschemposter personal.strath.ac.uk/alexander.van-…

Hi all, here is myself and Roxy Piotrowska's submission for @syschem20 based on our work on WR tripeptide crystals! CUNY ASRC Chemistry - University of Strathclyde @UlijnGroup TuttleLab doi.org/10.5281/zenodo… youtube.com/watch?v=lTUFC4… #syschemposter #realtimechem

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-see45fd85944… SCoTCH Research

1. 300

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.

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.

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.

Resubmission for #AIChem20posters with the correct hashtag this time.

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

Scuffles break out at Clapham Common memorial for Sarah Everard as people chant “arrest your own.”

I feel sick

Commander steps into remind officer that it’s not advisable to manhandle journalists after this incident #bristol

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/10.102… Alexander van Teijlingen #MachineLearning #CoarseGraining #MLCG

.Chris Stephens 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 pic.x.com/cr1tCOlq92

Check out this account on OpenSea opensea.io/assets/0x495f9… via OpenSea

Our collaborative review (@UlijnGroup Maithreyi Ramakrishnan Alexander van Teijlingen) on the collaborative design of peptide-based materials and complex systems is out now... onlinelibrary.wiley.com/doi/10.1002/an… Chemistry - University of Strathclyde CUNY ASRC ASRC Nanoscience Initiative

Alexander van Teijlingen 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 Chemistry - University of Strathclyde pubs.acs.org/doi/10.1021/ac…