UK High-End Computing Consortium for Bio-Molecular Simulation. We help biomolecular scientists of all abilities access and make best use of HPC. Chair @ProfSyK
United Kingdom
Joined July 2015
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We are delighted with the news that £750m is being invested in a new national supercomputer - this is what it means to our community- (video via @SCIENCEotTIMES):
youtu.be/-yFU_FJsT1A
Cool new paper from Rouse group featuring simulations of virus-host membrane interactions - sims performed on @ARCHER2_HPC - access provided by us 💪🏾
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HECBioSim retweeted
We are proud sponsors together with @cecamEvents
of the Biomolecular Simulations at the Mesoscale workshop in beautiful Trento. Look out for the short perspective that we will produce soon!
The meeting showcases physics-based simulations on supercomputers that are key for future economic growth and development of novel therapeutics. UK work presented is funded by @EPSRC and supported by @ARCHER2_HPC
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🚨 Don't miss out 🚨 You can become part of the CoSeC programme as one of the first cohort of CoSeC Fellows, with access to the expertise of CoSeC staff and the chance to represent CoSeC to our community. Submit your application via our website... cosec.stfc.ac.uk
Have you applied for one of our CoSeC Fellowships? We are currently accepting applications to our 2024 cohort and there is just one month remaining to submit your applications. The deadline for applications is 31 August. Apply via our website... cosec.stfc.ac.uk
HECBioSim retweeted
ARCHER2 Image and Video Competition 2024
Share your images and videos to support excellence and promote the contribution of ARCHER2 to outstanding research.
The winner of the competition will be awarded £250.
archer2.ac.uk/community/imag…
HECBioSim retweeted
We are on the search again for a Research Computing officer. Would particularly suit someone with knowledge of cryo-EM and bioinformatics software along with extensive hardware skills.
Closes 2nd Aug 2024.
my.corehr.com/pls/uoxrecruit…
(Previous applicants need not apply).
All applicants in the latest round have been notified about the outcome of their applications this afternoon. We’ve had great proposals & we look forward to hearing about the exciting science that will result from these allocations on tier 1 (National) and tier 2 (regional) HPC.
HECBioSim retweeted
We are looking for MD trajectories to analyze with MAVISp(biorxiv.org/content/10.1101/…) - if you have published ones with CHARMM36/CHARMM22star of 500/1000 ns we would be grateful if we can reuse them and save computing time. #MDsimulations #computationalchemistry
Results of our latest round of allocations have been finalised. All applicants will be informed today . Once again the quality of the science is exceptional, and demonstrates that the UK is a powerhouse in the field of biomolecular simulations. Happy simulating folks!
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Yesterday at the Faraday Community Poster Symposium we had a poster from Charlie, explaining his analysis of replica exchange simulations applied to conotoxins! #compchem #sotoncompchem #replicaexchange
HECBioSim retweeted
Our MDverse manuscript has been reviewed and will soon appear in eLife. Have a look to the nice comments from the reviewers highlighting the timeliness of our approach - especially in the context of AI
#PeerReview from @eLife of 👉🏿 MDverse: Shedding Light on the Dark Matter of Molecular Dynamics Simulations biorxiv.org/content/10.1101/… #biorxiv_bioinfo #reviewedpreprint
HECBioSim retweeted
📢Our first webinar after the summer break features Thomas Löhr from @AstraZeneca who will talk about the #compchem workflow manager Maize.
🗓️5 September 2023 at 15:00 CEST
➡️Info and registration: bit.ly/3QqbpKp
Join us then❗️
HECBioSim retweeted
Best Practices for Using AI When Writing Scientific Manuscripts doi.org/10.1021/acsnano.3c01… @acsnano @ACSPublications #ArtificialIntelligence #MachineLearning #bestpractices
HECBioSim retweeted
If you missed our @ALLODD_ITN #allostery conference #ALLOSTERY23 check some of the recordings here 👇
Check out the recordings from the "#Allostery in Drug Discovery Awareness Event and Symposium: Where Academia meets Pharma", organized by University of Strasbourg @unistra
youtube.com/playlist?list=PL…
Our committee member, Prof Phil Biggin endorsed Javid’s view
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❕Dont forget to register for our webinar next week where @sudarshanb259 from @CompBioPhys will talk about calculating free energy differences using GROMACS-PMX.
🗓️20 June 2023 at 15:00 CEST
➡️registration: bit.ly/3q5GQhR
#moleculardynamics #freeenergy
