| Ensemble-Based Steered Molecular Dynamics Predicts Relative Residence Time of A2A Receptor Binders A Potterton, FS Husseini, MWY Southey, MJ Bodkin, A Heifetz, ... Journal of Chemical Theory and Computation 15 (5), 3316-3330, 2019 | 56 | 2019 |
| Computing infrared spectra of proteins using the exciton model FS Husseini, D Robinson, NT Hunt, AW Parker, JD Hirst Journal of Computational Chemistry 38 (16), 1362-1375, 2017 | 26 | 2017 |
| Examining the role of protein structural dynamics in drug resistance in Mycobacterium tuberculosis DJ Shaw, RE Hill, N Simpson, FS Husseini, K Robb, GM Greetham, ... Chemical Science 8 (12), 8384-8399, 2017 | 23 | 2017 |
| Simulation of two-dimensional infrared spectroscopy of peptides using localized normal modes MWD Hanson-Heine, FS Husseini, JD Hirst, NA Besley Journal of Chemical Theory and Computation 12 (4), 1905-1918, 2016 | 21 | 2016 |
| Hit-to-lead and lead optimization binding free energy calculations for G protein-coupled receptors S Wan, A Potterton, FS Husseini, DW Wright, A Heifetz, M Malawski, ... Impact Focus 10, 2020 | 15 | 2020 |
| Application of the ESMACS Binding Free Energy Protocol to a Multi‐Binding Site Lactate Dehydogenase A Ligand Dataset DW Wright, F Husseini, S Wan, C Meyer, H van Vlijmen, G Tresadern, ... Advanced Theory and Simulations 3 (1), 1900194, 2020 | 13 | 2020 |
| Computing the two-dimensional infrared spectra of proteins and small peptides using the exciton approach and molecular dynamics simulations F Husseini University of Nottingham, 2017 | | 2017 |
| Entropy estimation methods in ensemble end-point binding free energy simulations DW Wright, F Husseini, S Wan, C Meyer, H van Vlijmen, G Tresadern, ... | | |
| Accurate, Precise and Reliable Binding Affinity Predictions for G Protein-Coupled Receptors FS Husseini, S Wan, DW Wright, A Potterton, A Heifetz, M Malawski, ... | | |
| Computational Biomedicine: Predictive Mechanistic Models in Support of Drug Discovery and Personalised Medicine D Kranzlmüller, P Coveney, S Wan, D Wright, A Bhati, F Husseini, M LRZ High Performance Computing, 227, 0 | | |
