| TIES 20: Relative binding free energy with a flexible superimposition algorithm and partial ring morphing MK Bieniek, AP Bhati, S Wan, PV Coveney Journal of chemical theory and computation 17 (2), 1250-1265, 2021 | 23 | 2021 |
| Long time scale ensemble methods in molecular dynamics: Ligand–protein interactions and allostery in SARS-CoV-2 targets AP Bhati, A Hoti, A Potterton, MK Bieniek, PV Coveney Journal of Chemical Theory and Computation 19 (11), 3359-3378, 2023 | 14 | 2023 |
| Minor chemistry changes alter surface hydration to control fibronectin adsorption and assembly into nanofibrils M Bieniek, V Llopis-Hernandez, K Douglas, M Salmeron-Sanchez, ... Advanced Theory and Simulations, 2019 | 13 | 2019 |
| An open-source molecular builder and free energy preparation workflow MK Bieniek, B Cree, R Pirie, JT Horton, NJ Tatum, DJ Cole Communications chemistry 5 (1), 136, 2022 | 9 | 2022 |
| TIES 2.0: A dual-topology open source relative binding free energy builder with web portal MK Bieniek, AD Wade, AP Bhati, S Wan, PV Coveney Journal of Chemical Information and Modeling 63 (3), 718-724, 2023 | 4 | 2023 |
| Fibronectin III9− 10 Adsorption to Self-assembled Monolayers and Interdomain Orientation in the Context of Material-driven Fibrillogenesis Studied with Molecular Dynamics … M Bieniek King's College London, 2020 | 1 | 2020 |
| Fibronectin III₉₋ ₁₀ adsorption to self-assembled monolayers and interdomain orientation in the context of material-driven fibrillogenesis studied with molecular dynamics … M Bieniek King's College London, 2020 | 1 | 2020 |
| Evaluation of Machine Learning/Molecular Mechanics End-State Corrections with Mechanical Embedding to Calculate Relative Protein–Ligand Binding Free Energies J Karwounopoulos, M Bieniek, Z Wu, AL Baskerville, G König, ... Journal of Chemical Theory and Computation, 2025 | | 2025 |
| Active learning driven prioritisation of compounds from on-demand libraries targeting the SARS-CoV-2 main protease B Cree, MK Bieniek, S Amin, A Kawamura, DJ Cole Digital Discovery, 2025 | | 2025 |
| Investigating the beginnings of material-driven fibronectin fibrillogenesis with MD simulations M Bieniek, W Taylor, CD Lorenz EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S208-S208, 2017 | | 2017 |
PV CoveneyUCLPotvrđena adresa e-pošte na ucl.ac.uk