New print from work done by Robert Arbon and Ryan Zhu: Markov State Models: to optimize or not to optimize
Welcome to the group Emma Tomlinson, on a joint project with David Michieletto
Congratulations Matthew for passing your PhD viva!
Congratulations Rohan for submitting your first paper <a href=’https://www.biorxiv.org/content/10.1101/2023.08.01.551483v1>From Proteins to Ligands: Decoding Deep Learning Methods for Binding Affinity Prediction</a>
Welcome Wheizi Bai for his summer project with the group
New preprint available, congratulations Nicholas on such great work: SILVR: Guided Diccusion for Molecule Generation
Marco Mattia is starting his PhD in the group. Welcome Marco!
The paper on: Efficient Purification of Cowpea Chlorotic Mottle Virus by a Novel Peptide Aptamer is now published in Viruses
Antonia becomes a co-opted member of the Faraday Community
New preprint available with Ryan’s first contribution to a publication: Efficient Purification of Cowpea Chlorotic Mottle Virus by a Novel Peptide Aptamer
We say goodbye to Li! Well done on completing your project with us and all the best for the rest of your studies.
Antonia joins the CCPBioSim management group
Jenke passes his Viva! Congratulations on your PhD and all the best on your new adventures!
Antonia is joining the Living Journal of Computational Molecular Sciences editorial board.
Antonia is joining the JOSS editorial board.
Li Horovitz will join the group as an exchange student from Ben-Gurion University in September 2023 for a 12 week project. Welcome Li!
Antonia joins the Statistical Mechanics and Thermodynamics RSC focus group committee
Antonia is joining the editorial board of <a href=’https://livecomsjournal.org/index.php/livecoms/>Living Journal of Computational Molecular Science</a> and the <a href=’https://joss.theoj.org>Journal of Open Source Software</a>
Antonia has gained a Fellowship of the Higher Education Academy
Congratulations to Ryan Zhu for getting his degree results of a 1st class honours BSc degree today. He will be joining the group as a PhD student in September 2022
Checkout this new workshop material on MDAnalysis and Machine learning that was delivered as a workshop after the 8th annual CCPBioSim conference.
Welcome to the group: Sarah Scripps and Yifan Wu who will both be joining us for the summer of 2022.
PhD student Jasmin Güven has finished her first paper on analysing protein structures from AlphaFold2 and the PDB and comparing results to geometrically constrained protein models. Her paper is now available on ArXiv
Congratualtions to Ryan and Matthew for finishing all their required assessments for their degree! Best of luck on your new adventures.
Second SOFI CDT project available, joint with Claire Hobday’s group. More details on the project can be found here</a</em>
PhD Project available in the group with the SOFI CDT joint with Matteo Degiacomi’s group at Durham.
Biomedical AI CDT PhD project avaialble in collaboration with Exscientia. Application Deadline 18/06/2021. Informal inquiries are encouraged! See more details <a href=https://web.inf.ed.ac.uk/cdt/biomedical-ai/apply/industrial-track-exscientia>here!</a>
Antonia starts her Chancellor’s Fellowship at the University of Edinburgh
Open PhD position for UK students on: New Frontiers for Metalloenzymes: Exploring the synergy between machine learning and biomolecular simulations
Very please to annonced that Antonia Mey has been awarded a prestigious Chancellor’s Fellowship.
Biomedical AI CDT PhD project avaialble working with Ben Leimkuhler and Flaviu from IBM Research. Application Deadline 31/1/2021. Informal inquiries are encouraged! See more details <a href=https://web.inf.ed.ac.uk/cdt/biomedical-ai/apply/industrial-track-cdt>here!</a>
The paper on ‘Best Practices for Alchemical Free Energy Calculations’ has been accepted for publication in LiveCoMS
EASTBIO PhD project available in the group working with Rafal Szabla and Jack Szostak, see more details <a href=https://www.findaphd.com/phds/project/eastbio-understanding-prebiotic-rna-self-replication-using-quantum-chemistry-and-machine-learning/?p125095’>here!</a>
Welcome to project students Junhao Wang and Victor Principe for the academic year 2020/2021!
We have a new preprint out on the Best Practices for Alchemical Free Energy calculations
The virtual I AM A.I. exhibition by IMAGINARY is now live at I AM A.I.. Explore how an artificial intelligence, learns and thinks and take a look at how to train one using neural networks. From the 19th you will be able to see Antonia as a virtual guide taking you through the exhibtion.
Marta Chronowska joins the group for a summer project. Welcome Marta!
Cresset’s Flare can now run alchemical free energy calculations! Antonia is glad to have been able to contribute to this collaboration. Read the paper here!
Antonia has been awarded travel money from SUPA to visit Prof. Chodera’s group at MSKCC and Prof. Roitberg at the Univesity of Florida!
The preprint on the collaboration with Cresset for implementing alchemical free energy calculations in Flare is out! Take a look on (ChemRxiv)!
Welcome to Cameron and Jonathan — The research group is officially starting!
Hello World – the group website is going live!