Here is a list of successful HECtime allocations on JADE2. Note this is a list of historical projects and is not used to notify applicants on the status of their application:
1st HECBioSim JADE2 Resource Allocation Panel Successful Applications - April 2021
Applicant | Institution | Project Title |
Philip Biggin | University of Oxford | Quantifying Dimerization Energetics in KDEL Receptors |
Doryen Bubeck | Imperial College London | How bacterial cytolysins initiate membrane rupture |
Timothy Craggs | University of Sheffield | Probing the conformational dynamics of supercoiled DNA minicircles in explicit solvent |
Sarath Dantu | Brunel University London | Conformational dynamics of Skp1-Cullin-Fbox protein complex |
Carmen Domene | University of Bath | Computational Studies of Oxygenases |
Fernanda Duarte | University of Oxford | Computational investigation of histone H3 peptide binding to TRIM proteins |
Jonathon Essex | University of Southampton | Methods for Accurate and Efficient Simulation of the Conformational Landscape of Ligands |
Arianna Fornili | Queen Mary University of London | Designing myosin modulators |
Syma Khalid | University of Oxford | Lipopolysaccharide interactions with outer membrane proteins: finding the patterns |
Julien Michel | University of Edinburgh |
Building Markov State Models for Prioritising Allosteric Fragment Binders for Hit-to- Validation of a novel FEP approach to increase reliability for large molecular |
Agnes Noy | University of York | Modelling supercoiling on linear DNA |
Alessandro Pandini | Brunel University London | Developing a machine learning model to predict ‘dynamically-compatible’ changes in the sequence of a bacterial protein. |
Claire-Louise Peyton | University of Bradford | Investigation of the Sp protein family and interactions with DNA |
Edina Rosta | University College London | Molecular modelling, synthesis and development of SARS-CoV-2 inhibitors |
Phillip Stansfeld | University of Warwick | Conformational Dynamics of the Mycobacterium LpqY-SugABC Transport System |
Marc Van der Kamp | University of Bristol | Evaluating molecular dynamics simulations for TCR therapeutic design |
Tobias Warnecke | Imperial College London | Targeting lung cancer’s ‘safe-space’ with novel p21 mimics |