Here is a list of successful HECtime allocations on ARCHER2. Note this is a list of historical projects and is not used to notify applicants on the status of their application:
2nd HECBioSim ARCHER2 Resource Allocation Panel Successful Applications - Jun 2022
| Applicant | Institution | Project Title |
| Philip Biggin | University of Oxford | Free Energy Conformational Change in Peptide Transporters |
| John Christodoulou | University College London | Determining the Structural Basis of co-Translational Protein Folding by Integrating State-of-the-Art MD Simulations with NMR Restraints |
| Rosana Collepardo-Guevara | University of Cambridge | How Do Proteins That Deform Nucleosomes Modulate Chromatin Structure? |
| Carmen Domene | University of Bath | QMMM studies of Oxygenases |
| Jonathon Essex | University of Southampton | Modelling Structures of Peptide-miRNA Complexes |
| Brendan Howlin | University of Surrey | Investigating the Free Energy Landscape at the Active Site of Galactose Oxidase during a Double Hydrogen Transfer |
| Syma Khalid | University of Oxford | Mechanistic Studies of Antimicrobial Peptide Action on the E. coli Inner Membrane Using in Silico Assays |
| Gerhard Koenig | University of Portsmouth | Physics-Based Protein Melting Temperature Predictions |
| Charles Laughton | University of Nottingham | Porting Crossflow to Archer2 |
| Chris Lorenz | Kings College London | Investigate the Concentration-Dependence of the Interactions of Pleurocidin with Model Membranes |
| Valeria Lossasso | STFC | Molecular Dynamics Simulation of Lysozyme Crystal Cells in Deep Eutectic Solvents to Model Anisotropic Diffuse Scattering |
| Adrian Mulholland | University of Bristol | Characterization of Ligand and pH Effects on SARS-CoV-2 Spike Variants |
| Sarah Rouse | Imperial College London | Assembly of OPA1 on Mitochondrial Membranes |
| Marco Sacchi | University of Surrey | Determining the Misincorporation Rate of non-canonical DNA in the Replisome with Multiscale Modelling Approaches |
1st HECBioSim ARCHER2 Resource Allocation Panel Successful Applications - Jan 2022
| Applicant | Institution | Project Title |
| Philip Biggin | University of Oxford | Using ABFE to Explore Dynamic Pharmacophores in Peptide Transporters |
| Doryen Bubeck | Imperial College London | Membrane Lipid Ordering and Recruitment by the Membrane Attack Complex |
| John Christodoulou | University College London | Applying Coarse-Grained Molecular Dynamics Simulations to Study Ribosome Interactions: From Nascent Polypeptides to Small Molecule Drugs |
| Jonathon Essex | University of Southampton | Modeling Structures of Peptide-RNA Complexes |
| Douglas Houston | University of Edinburgh | Gaussian Accelerated Molecular Dynamics Study of the Activation States of Phosphofructokinase |
| Brendan Howlin | University of Surrey | Exploration of the Ion Selectivity in Acid-Sensing Ion Channel |
| Antreas Kalli | University of Leeds | Understanding the Large-Scale Organization of Piezo1 Mechanosensitive Channel |
| Syma Khalid | University of Oxford | In-silico Microbiology of the E. coli Cell Envelope: Mechanistic Studies of Latarcin Antmicrobials |
|
Constantina Lekakou |
University of Surrey | Interactions Between the Spike Protein of Covid-19 and Biomolecules for the Design of Protective Filters Against Covid-19 |
| Sheena Radford | University of Leeds | Investigation of Interactions Between Human Islet Amyloid Polypetide (hIAPP) and two Novel Small Molecules by MD Simulation |
| Edina Rosta | University College London | Design of Small Molecule Effectors to Restore the Function of Oncogenic Ras Mutants |
| Sarah Rouse | Imperial College London | cgMD Simulations of OPA1 Mitochondrial Membrane Remodelling |
| Marco Sacchi | University of Surrey | Describing the Lifetime of Non-Canonical DNA in the Replisome with Multiscale Modelling Approaches |
| Phillip Stansfeld | University of Warwick | Assessing the Dynamics of the Core Components of the Bacterial Elongasome |