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