News

06/03/2024
Congratulations Rohan for publishing your second paper Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction

12/01/2024
Welcome Auro Varat Patnaik to the group working jointly with Davide Michieletto

16/10/2023
New print from work done by Robert Arbon and Ryan Zhu: Markov State Models: to optimize or not to optimize

01/09/2023
Welcome to the group Emma Tomlinson, on a joint project with David Michieletto

18/08/2023
Congratulations Matthew for passing your PhD viva!

03/08/2023
Congratulations Rohan for submitting your first paper From Proteins to Ligands: Decoding Deep Learning Methods for Binding Affinity Prediction

01/06/2023
Welcome Wheizi Bai for his summer project with the group

21/04/2023
New preprint available, congratulations Nicholas on such great work: SILVR: Guided Diccusion for Molecule Generation

19/04/2023
Marco Mattia is starting his PhD in the group. Welcome Marco!

08/03/2023
The paper on: Efficient Purification of Cowpea Chlorotic Mottle Virus by a Novel Peptide Aptamer is now published in Viruses

22/02/23
Antonia becomes a co-opted member of the Faraday Community

30/01/2023
New preprint available with Ryan’s first contribution to a publication: Efficient Purification of Cowpea Chlorotic Mottle Virus by a Novel Peptide Aptamer

09/01/2023
We say goodbye to Li! Well done on completing your project with us and all the best for the rest of your studies.

03/01/2023
Antonia joins the CCPBioSim management group

02/12/2022
Jenke passes his Viva! Congratulations on your PhD and all the best on your new adventures!

17/09/2022
Antonia is joining the Living Journal of Computational Molecular Sciences editorial board.

17/08/2022
Antonia is joining the JOSS editorial board.

10/08/2022
Li Horovitz will join the group as an exchange student from Ben-Gurion University in September 2023 for a 12 week project. Welcome Li!

29/07/2022
Antonia joins the Statistical Mechanics and Thermodynamics RSC focus group committee

20/07/2022
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>

20/06/2022
Antonia has gained a Fellowship of the Higher Education Academy

17/06/2022
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

10/06/2022
Checkout this new workshop material on MDAnalysis and Machine learning that was delivered as a workshop after the 8th annual CCPBioSim conference.

25/05/2022
Welcome to the group: Sarah Scripps and Yifan Wu who will both be joining us for the summer of 2022.

19/05/2022
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

16/05/2022
Congratualtions to Ryan and Matthew for finishing all their required assessments for their degree! Best of luck on your new adventures.

05/03/2022
Second SOFI CDT project available, joint with Claire Hobday’s group. More details on the project can be found here</a</em>

04/02/2022
PhD Project available in the group with the SOFI CDT joint with Matteo Degiacomi’s group at Durham.

01/06/2021
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>

01/04/2021
Antonia starts her Chancellor’s Fellowship at the University of Edinburgh

27/01/2021
Open PhD position for UK students on: New Frontiers for Metalloenzymes: Exploring the synergy between machine learning and biomolecular simulations

16/12/2020
Very please to annonced that Antonia Mey has been awarded a prestigious Chancellor’s Fellowship.

14/12/2020
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>

25/11/2020
The paper on ‘Best Practices for Alchemical Free Energy Calculations’ has been accepted for publication in LiveCoMS

5/11/2020
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>

20/10/2020
Take a look at his new preprint with Antonia’s contribution to the QUBE being made available for BioSimSpace.

25/Sep/2020
Welcome to project students Junhao Wang and Victor Principe for the academic year 2020/2021!

07/Aug/202
We have a new preprint out on the Best Practices for Alchemical Free Energy calculations

10/Jun/2020
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.

01/Jun/2020
Marta Chronowska joins the group for a summer project. Welcome Marta!

28/May/2020
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!

25/Feb/2020
Antonia has been awarded travel money from SUPA to visit Prof. Chodera’s group at MSKCC and Prof. Roitberg at the Univesity of Florida!

07/Feb/2020
The preprint on the collaboration with Cresset for implementing alchemical free energy calculations in Flare is out! Take a look on (ChemRxiv)!

01/Jan/2020
Welcome to Cameron and Jonathan — The research group is officially starting!

03/Dec/2019
Hello World – the group website is going live!