This sounds like a step in the right direction.
www.ft.com/content/89ba...
This sounds like a step in the right direction.
www.ft.com/content/89ba...
In-person training. 7th UK Workshop on Membrane Proteins. Birmingham, UK. 15-17 April 2026. Includes Biochemical Society logo, image of scientists in lab coats, in a lab, and event logo.
There are still a few places left for the 7th UK Workshop on Membrane #Proteins! Join us from 15-17 April at Aston University to understand the basics of membrane protein purification using cutting edge methods ๐งช ow.ly/rx0B50YbAUt
27.02.2026 11:43 โ ๐ 2 ๐ 1 ๐ฌ 0 ๐ 0
If you are a #GROMACS user and/or interested in #moleculardynamics simulations join us next week for our "What's new in GROMACS 2026.0" #webinar
๐๏ธ 3 March 2026, 15:00 CET
โ๏ธ bioexcel.eu/cpok
@gromacs.bsky.social
Cool opportunity here!
25.02.2026 16:32 โ ๐ 0 ๐ 1 ๐ฌ 0 ๐ 0
Great to see this paper out with @profkalium.bsky.social - with MD from David Seiferth.
GqPCR inhibition inversely correlates with channel open probability, and results from a state-dependent destabilisation of the open state by DAG promoting channel closure.
link.springer.com/article/10.1...
Absolutely brilliant!
24.02.2026 15:08 โ ๐ 0 ๐ 0 ๐ฌ 0 ๐ 0
Come work with Ben Berks FRS in Oxford
2 x PDRA posts: Molecular Analysis of Bacterial Outer Membrane Protein Biogenesis
2 complementary projects investigating bacterial outer membrane protein biogenesis. Building on our recent work (Nature (2015) 647: 479-487)
my.corehr.com/pls/uoxrecru...
Excited to share our work into ubiquitin E1-E2 specificity mechanisms. CryoEM visualising #ubiquitin transfer,biochemistry,evolution @labhofmann.bsky.social & tissue expression analyses @psarkies.bsky.social Big thanks to the team,reviewers & handling editor @dimitristypas.bsky.social rdcu.be/eTRdR
09.12.2025 13:21 โ ๐ 37 ๐ 15 ๐ฌ 4 ๐ 2
This is SO COOL!!!
academic.oup.com/bioinformati...
MDAnalysis is participating in #GSoC 2026!
๐ Read our blog post for details on how you can apply to work with MDAnalysis through GSoC: www.mdanalysis.org/2026/02/19/g...
๐๏ธ Pre-proposals must be submitted by March 9.
โFor transparency and fairness, use public forums for all #GSoC communications.
Congratulations!
22.02.2026 01:24 โ ๐ 1 ๐ 0 ๐ฌ 1 ๐ 0
๐ขOut now! Work from @chipotlab.bsky.social and colleagues presents a method that learns from atomic motion without the need for handcrafted descriptors, allowing for accurate kinetics and atom-level insights. www.nature.com/articles/s43...
๐ rdcu.be/e4p3B
๐ง Who will be presenting their #research projects during the upcoming #Theory #workshop in #Hรผnfeld? โฉ Take a look at the program and list of #speakers. www.mpinat.mpg.de/workshop/hue... #Registration for ๐ฅ๏ธ online only participation is still open...
20.02.2026 08:32 โ ๐ 1 ๐ 2 ๐ฌ 0 ๐ 0
Ever get tired of tiny timesteps bottlenecking your MD simulations?
We show how to train a model for large-timestep Hamiltonian dynamics directly on standard MLFF datasets. ๐ก๐ผ ๐ฟ๐ฒ๐ณ๐ฒ๐ฟ๐ฒ๐ป๐ฐ๐ฒ ๐๐ฟ๐ฎ๐ท๐ฒ๐ฐ๐๐ผ๐ฟ๐ถ๐ฒ๐, ๐ป๐ผ ๐๐ป๐ฟ๐ผ๐น๐น๐ถ๐ป๐ด, ๐ป๐ผ ๐๐ฒ๐ฎ๐ฐ๐ต๐ฒ๐ฟ needed!
๐งต๐
Insights from aquaporin structures into drug-resistant sleeping sickness.
๐ buff.ly/Y0A47zR
โฐ Don't forget to register for our #webinar tomorrow, 17 February 2026, 15:00 CET
โ๏ธ bioexcel.eu/7c2s
"From quick script to reproducible workflow"
#molecularsimulations #workflows #FAIR #SoftwareEngineering
@coderefinery.org
#OPENACCESS: Molecular dynamics simulations reveal DNA gate opening mechanisms for M. smegmatis topoisomerase 1A. Deepesh Sigdel and Maria Mills. buff.ly/GZXDTzi
16.02.2026 19:02 โ ๐ 1 ๐ 1 ๐ฌ 0 ๐ 0
๐ JOB OPPORTUNITY: Research Associate in GenAI applied to Drug Discovery! ๐งฌ
Full details: recruitment.irbbarcelona.org/jobs/6928145...
There's still time to make a 16 February poster abstract deadline for the Molecular and ion flows #FaradayDiscussion, Manchester, 13-15 April 2026. Poster presenters can expect lively discussions, networking, and a collaborative atmosphere where every delegate can contribute. #ChemSky #Nanofluidics
13.02.2026 18:07 โ ๐ 3 ๐ 2 ๐ฌ 0 ๐ 0
Our new preprint. First prospective use of a transformer model for drug repurposing against Streptococcus pneumoniae, a major AMR threat. Great collaboration with Nick Croucherโs lab. Of 11 tested, 9 showed strong activity, some against multidrugโresistant strains.
#AI #AMR
Second time this month I've encountered a paper on MD simulations of protein kinases with no coordinates from the trajectory provided. I'd like a few snapshots or cluster centroids. Something.
Makes these papers essentially useless.
Check out our latest paper on the glycine receptor with
@chakrapanilab.bsky.social
where we show the interplay between the orthosteric and allosteric binding sites.
www.science.org/doi/10.1126/...
Takeda (Boston, MA) looking for Associate Director, Computational Chemistry, (PhD, 7+ yrs exp): jobs.takeda.com/job/boston/a... #chemjobs #compchem
(position pretty old, Nov 2025 posting)
Happy that simulations, performed by Gabriel Diaz, stellar master student in the team, helped to decipher how PIP2 lipids help recruiting Munc13 protein to prime synaptic vesicle Collaborative work led by F. Pincet @normalesup.bsky.social
full story at @pnas.org : www.pnas.org/doi/10.1073/...
In-person training. 7th UK Workshop on Membrane Proteins. Birmingham, UK. 15-17 April 2026. Includes Biochemical Society logo, image of scientists in lab coats, in a lab, and event logo.
Registration is open for the 7th UK Workshop on Membrane #Proteins! Join us from 15-17 April to understand the basics of membrane protein purification using cutting edge methods. Places are limited, save ยฃ50 with our earlybird discount if you register before 15 February: ow.ly/rx0B50YbAUt
10.02.2026 09:50 โ ๐ 3 ๐ 2 ๐ฌ 0 ๐ 1Photo of panel discussion from our careers event, with Lizzie Coker (AZ), Marta Polak (J&J), and Ben Hall (UCL)
Inspiring computational #cancer careers session yesterday with speakers from J&J and AZ!
Interested in the field? On Friday Iโm giving a lecture to introduce our new MSc Computational Cancer. Register below:
www.ucl.ac.uk/engineering/...
Congratulations Beatrix!
11.02.2026 10:19 โ ๐ 2 ๐ 0 ๐ฌ 1 ๐ 0Indeed :-(
10.02.2026 18:55 โ ๐ 2 ๐ 0 ๐ฌ 0 ๐ 0something to digest... ;-)
10.02.2026 17:26 โ ๐ 0 ๐ 2 ๐ฌ 1 ๐ 0
๐ฉ Join our interdisciplinary team as #PhD student or #postdoc and contribute to the project "Theory and #Algorithms for Structure Determination from Single Molecule X-Ray Scattering Images", a new route to the structure determination of biomolecules. #job #XFEL in #Gรถttingen ๐ฉ๐ช
@mpi-nat.bsky.social