Here is a list of successful HECtime allocations on UK Tier2 Bede. Note this is a list of historical projects and is not used to notify applicants on the status of their application:
6th HECBioSim Bede Resource Allocation Panel Successful Applications - June 2024
Applicant | Institution | Project Title |
Richard Bryce | University of Manchester | Pushing the Boundaries of Conformationally Generalisable Machine Learned Potentials |
Rosana Collepardo Guevara | University of Cambridge | What is the Molecular Origin of Protein Condensate Viscoelasticity? |
Carmen Domene | University of Bath | Insight into the Inner structure of the coacervate of an intrinsically disordered squidbeak peptide from a combination of molecular dynamics simulations, SAXS and SANS. |
Naoto Hori | University of Nottingham | Investigation of the assembly mechanism in Telomerase protein-RNA complex. |
Georgina Menzies | Cardiff University | Molecular Dynamics Simulations to Better Understand the Influence of DNA Sequence in Repair |
Julien Michel | University of Edinburgh | Enhancing the Performance of Hybrid ML/MM Simulations |
Irina Tikhonova | Queen's University Belfast | Analysis of GPCRs Binding Sites via a Dynamic Fragment-Based Approach |
5th HECBioSim Bede Resource Allocation Panel Successful Applications - Jan 2024
Applicant | Institution | Project Title |
Jonathan Essex | University of Southampton | Streamlining Fragment-Based Drug Discovery with Grand Canonical Non-equilibrium-Candidate Monte Carlo |
Naoto Hori | University of Nottingham | Investigation of the Assembly Mechanism in Telomerase Protein-RNA Complex |
Charlie Laughton | University of Nottingham | How do post-translational modifications of Peroxyredoxin 2 modulate its functionally-important conformational equilibria? |
Julien Michel | University of Edinburgh | Efficient Non-Equilibrium Alchemical Free Energy Calculations |
Katherine Thompson | Birkbeck University of London | Changes to Lipid:Protein Interactions in Lung Surfactant from Different Mammals |
4th HECBioSim Bede Resource Allocation Panel Successful Applications - Jun 2023
Applicant | Institution | Project Title |
Jonathan Doye | University of Oxford | Systematic Prediction of the Structures of Bacterial and Archaeal S-Layers |
3rd HECBioSim Bede Resource Allocation Panel Successful Applications - Jan 2023
Applicant | Institution | Project Title |
Carmen Domene | University of Bath | Basis for Sensory Transduction and Nociception in the TRPM8 Ion Channel. |
Fernanda Duarte | University of Oxford | Tetracycline Degrading Monooxygenases as an Antibiotic Resistance Mechanism |
2nd HECBioSim Bede Resource Allocation Panel Successful Applications - May 2022
Applicant | Institution | Project Title |
Sarath Dantu | Brunel University London | Deciphering Mechanism of Coil to Helix Transition of Skp1 |
Carmen Domene | University of Bath | Computational Studies of Oxygenases |
Fernanda Duarte | University of Oxford | Exploring Lgand Binding to the TRIM33 Bromodomains with Gaussian Accelerated Molecular Dynamics (GaMD) Simulations |
Katherine Thompson | Birkbeck University of London | How Does Oxidative Damage Change Lipid:Protein Interactions in Lung Surfactant |
1st HECBioSim Bede Resource Allocation Panel Successful Applications - November 2021
Applicant | Institution | Project Title |
Philip Biggin | University of Oxford | Resolving Cholesterol Binding in the SLC Family of Amino Acid Transporters |
Charlotte Deane | University of Oxford | Elucidating Protein Folding Pathways at Scale |
Carmen Domene | University of Bath | Computational Studies of Oxygenases in Bede |
Fernanda Duarte | University of Oxford | Peptide Binding and Allosteric Communication in SARS-CoV-2 Mpro |
Naoto Hori | University of Nottingham | Exploring Conformations of mRNA Confined in a Nanoparticle |
Christof Jaeger | University of Nottingham | Revealing the Fundamentals of the Dynamics of Glycine Radical Enzymes (GREs) to Support the Method Development for Decoding Protein-Protein Interaction Mediated Enzyme Activation |
Syma Khalid | University of Oxford | Elucidating the Mechanism of Action on Bacterial Membranes of the Antiseptic Component Chlorhexidine Gluconate. |
Chris Lorenz | King's College London | Investigation of the Structure of ORF6 Protein & its Interactions with Model Plasma Membrane |
Hershna Patel | University of Westminster | Accelerated MD Simulations of the Influenza A Nuclear Export Protein |
Phillip Stansfeld | University of Warwick | Lipid Binding and Membrane Dynamics in Bacterial Chemoreceptor Arrays |
Katherine Thompson | Birkbeck University of London | Lipid Protein Interaction in Lung Surfactant at the Air-Water Interface |