PhD in Computational Chemistry at ETH Zurich. MD Simulations, Machine Learning, Enhanced Sampling, and Baking Specialist.
Joined June 2020
- Tweets 84
- Following 185
- Followers 165
- Likes 246
Photos and videos
Stephanie Linker retweeted
19 Jul 2023
We are really happy to announce that @linker_phi's paper on membrane permeability of cyclic peptides has won the @RoySocChem's Outstanding Student Paper award in computational and theoretical chemistry for 2022!
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Stephanie Linker retweeted
17 Mar 2023
Interested in water in ligand binding sites? Our newest paper applies RE-EDS to study the thermodynamics of water networks in protein cavities.
pubs.acs.org/doi/10.1021/acs…
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Stephanie Linker retweeted
13 Feb 2023
Looking for some insights into the permeation process of your beyond rule-of-five (bRo5) compound? Check out these four permeability steps of a cyclic peptide crossing a lipid membrane:
pubs.acs.org/doi/10.1021/acs…
#OpenAccess #Compchem #bRo5 #permeability
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Stephanie Linker retweeted
6 Feb 2023
Warmest #congratulations to our most recently #PhD graduated #LPC rep and former president (2020/2021) Stephanie @linker_phi on her successful PhD defense! 🥳🎓
Wishing you all the best for your future! 💐
@rinikerlab @ETH_DCHAB #WomenInSTEM #PhDone #AcademicTwitter
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Stephanie Linker retweeted
23 Jan 2023
Our newest paper introduces enu, an #opensource tool for enumerating all isomers (including stereoisomers!) for a given molecular formula.
jcheminf.biomedcentral.com/a…
You can find the source code for enu on @github: github.com/csms-ethz/CombiFF
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Stephanie Linker retweeted
31 Jan 2023
🔈Join our women in academia event to learn about the opportunities and challenges in an academic career! Do not miss it your chance!!
📅 Thursday February 23th 2023, 17:00
📍 ETH Hönggerberg, Building HCI
👉🏼 to register: lnkd.in/eKeg5Puu
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Stephanie Linker retweeted
23 Dec 2022
Preprint alert. Interested in water molecules that affect ligand binding and affinity to protein pockets? We analyzed their energetic contributions as well as arising solvation correlation effects of water networks.
#ComputationalChemistry
#DrugDesign
chemrxiv.org/engage/chemrxiv…
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Stephanie Linker retweeted
23 Dec 2022
Hot off the press. We improved our IR spectra alignment algorithm that helps you determining the relative stereochemistry of organic molecules. It compares theoretical and experimental IR spectra of all isomers and finds the best match.
Check it out here:
pubs.rsc.org/en/content/arti…
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Stephanie Linker retweeted
5 Dec 2022
Happy to share that our collaboration with @TomFiaLAB from the Wennemers group was accepted in @angew_chem. Check out how to design collagen triple helices with a desired thermal stability here:
onlinelibrary.wiley.com/doi/…
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Stephanie Linker retweeted
14 Nov 2022
Excellent preprint by @rinikerlab, some great insights from #MolecularDynamics #simulation methods applied to understand macrocycle bioavailability!👇
chemrxiv.org/engage/chemrxiv…
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Stephanie Linker retweeted
16 Nov 2022
Watch gasdermin-D form sublytic ion channels and cut pores into cell membranes to trigger pyroptotic cell death in inflammation and infection: doi.org/10.7554/eLife.81432. Congrats to Stefan Schäfer @s_l_schaefer for his MD study in @eLife & thanks to @MPIbp @sfb1507 @EnableFrankfurt
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Stephanie Linker retweeted
5 Oct 2022
Very excited that our paper on Graph Convolutional Neural Networks for (QM)ML/MM Molecular Dynamics Simulations was selected as a 2022 HOT PCCP article!
You can find it FREE to access here: xlink.rsc.org/?doi=10.1039/D…
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Stephanie Linker retweeted
28 Sep 2022
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Stephanie Linker retweeted
5 Oct 2022
We loved to be part of this amazing collaboration with exciting results.
30 Sep 2022
Hot off the press in @J_A_C_S: the terminal residues of collagen model peptides have a surprisingly large effect on the stability of collagen triple helices.
pubs.acs.org/doi/10.1021/jac…
Amazing collaboration with Emilia (Riniker group) and Oli! @ETH @ETH_DCHAB
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Stephanie Linker retweeted
5 Oct 2022
Dear community! 📢
We are looking for new #members!
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Stephanie Linker retweeted
20 Sep 2022
How do proteins move? What can NMR and MD simulations tell us? Check out this review of recent advances in the field from our HIRES-MULTIDYN project partners @rinikerlab @ETH_DCHAB and @fabferrage @Chimie__ENS
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Stephanie Linker retweeted
26 Sep 2022
You want to understand the influence of solvent interactions on your #NMR chemical shifts?
Have a look at our reference dataset of NMR measurement of small molecules in chloroform-d and in tetrachloromethane and corresponding DFT calculations.
pubs.rsc.org/en/content/arti…
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Stephanie Linker retweeted
16 Sep 2022
Interested in boosting your QM/MM calculations with #MachineLearning ? Facing problems with the accuracy of your long-range interactions? Use graph-convolutional neural networks with a Δ-learning learning scheme and check out:
pubs.rsc.org/en/content/arti…
#compchem #ML
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Stephanie Linker retweeted
16 Sep 2022
This one is for all the openMM users out there. You can now calculate free energies using the high sampling efficiency of RE-EDS in openMM!
aip.scitation.org/doi/10.106…
#compchem #FreeEnergy
@openmm_toolkit
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Stephanie Linker retweeted
6 Sep 2022
Are you attending the @SwissChemistry Fall Meeting this week at @UZH_Chemistry ?
If yes then don’t forget to stop by the youngSCS GA !
Some exciting events to be announced and a price for the winner of our quiz ! 🏆🎁
Can you guess which event will be back next year ? ⛷🧪
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