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Asma Feriel Khoualdi

@asmaferiel.bsky.social
561 followers 161 following 7 posts

PhD @ColeGroupNCL.bsky.social Drug Design EPSRC-MoSMed CDT + collab @openSciSaudi + Artist alum: @mcgillu @UMontreal 🇯🇴 🇩🇿 🇸🇦 🇨🇦 🇬🇧 website 👉 asmaferiel000.github.io/AsmaFeriel.git…

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Asma Feriel Khoualdi @asmaferiel.bsky.social · 22/06/2026
Out pre-print is out now!
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Cole Group @colegroupncl.bsky.social · 19/11/2025
📢 We have a fully funded PhD studentship available for Oct 2026 start on "Training force fields for computer-aided drug design with machine learning", in collaboration with Ioan Magdau and SandboxAQ. Full details and how to apply: www.ncl.ac.uk/postgraduate... Closing date: 18 Jan 2026 #compchem
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Cole Group @colegroupncl.bsky.social · 13/11/2025
If you're at #ukqsar today, be sure to check out posters by @finlayclark.bsky.social, on work with @openforcefield.org, and @asmaferiel.bsky.social & @chikitng.bsky.social on computer-aided drug design methods! #compchem
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Cole Group @colegroupncl.bsky.social · 16/09/2025
Congrats to @asmaferiel.bsky.social who was part of the winning team for the @mosmedcdt.bsky.social Ideation Training event!
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Cole Group @colegroupncl.bsky.social · 16/04/2025
Great job by @asmaferiel.bsky.social presenting her work on molecular modelling of GALK1 at the @mosmedcdt.bsky.social conference! @wyattyue.bsky.social @matteodegiacomi.bsky.social
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MoSMed CDT @mosmedcdt.bsky.social · 11/02/2025
Thanks to Dr Kate Harris for an inspirational talk on the theme of Equity at today's @iupac.bsky.social #GWB2025. A very large turnout for this event across our brilliant research community showing a strong appetite to engage with these themes and support each other
A close up of a plate of mini-muffins. In the background is a large modern lecture theatre filled with researchers.
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Cole Group @colegroupncl.bsky.social · 29/01/2025
Our team is having fun trying out the binding pose challenge! Check it out below, the organisers have done a great job making the data easy to access and understand!
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Asma Feriel Khoualdi @asmaferiel.bsky.social · 05/02/2025
This was a grand moment to witness #WeAreNCL!
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Cole Group @colegroupncl.bsky.social · 24/01/2025
In case you missed it over the new year, check out this great paper and open software package led by @finlayclark.bsky.social to help you automate your molecular simulation post-processing #compchem #chemsky
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Asma Feriel Khoualdi @asmaferiel.bsky.social · 14/01/2025
🎉!
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Asma Feriel Khoualdi @asmaferiel.bsky.social · 08/01/2025
And counting! Here is to more science 💫
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Jorge Bravo Abad @bravo-abad.bsky.social · 05/01/2025
Karwounopoulos et al. compare ML/MM end-state corrections vs. ML torsion re-fits for protein–ligand free energies. Both yield ~0.8–0.9 kcal/mol error, but torsion tuning is faster and more stable, making it a strong choice for large-scale drug discovery. pubs.acs.org/doi/full/10....
pubs.acs.org
Evaluation of Machine Learning/Molecular Mechanics End-State Corrections with Mechanical Embedding to Calculate Relative Protein–Ligand Binding Free Energies
The development of machine-learning (ML) potentials offers significant accuracy improvements compared to molecular mechanics (MM) because of the inclusion of quantum-mechanical effects in molecular in...
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Syma Khalid @sykhalid.bsky.social · 25/11/2024
Twice recently when discussing committee membership of a learned body folk (once a colleague, once a student) asked me how it benefits me. I find this quite sad - it doesn’t have to always benefit me, benefitting others is good too. Everything doesn’t have to be transactional….does it?
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Asma Feriel Khoualdi @asmaferiel.bsky.social · 30/11/2024
Million congrats to @finlayclark.bsky.social both for best talk and being “best PhD” fellow as one speaker today announced (and I definitely, definitely second)! Always a true pleasure learning from such great exchanges!
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