| Energy decomposition analysis approaches and their evaluation on prototypical protein–drug interaction patterns MJS Phipps, T Fox, CS Tautermann, CK Skylaris Chemical society reviews 44 (10), 3177-3211, 2015 | 336 | 2015 |
| The ONETEP linear-scaling density functional theory program JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ... The Journal of chemical physics 152 (17), 2020 | 135 | 2020 |
| Surfactant proteins A and D: trimerized innate immunity proteins with an affinity for viral fusion proteins A Watson, MJS Phipps, HW Clark, CK Skylaris, J Madsen Journal of innate immunity 11 (1), 13-28, 2018 | 57 | 2018 |
| Energy decomposition analysis based on absolutely localized molecular orbitals for large-scale density functional theory calculations in drug design MJS Phipps, T Fox, CS Tautermann, CK Skylaris Journal of Chemical Theory and Computation 12 (7), 3135-3148, 2016 | 22 | 2016 |
| Intuitive density functional theory-based energy decomposition analysis for protein–ligand interactions MJS Phipps, T Fox, CS Tautermann, CK Skylaris Journal of Chemical Theory and Computation 13 (4), 1837-1850, 2017 | 21 | 2017 |
| Charge distributions of nitro groups within organic explosive crystals: Effects on sensitivity and modeling AA Aina, AJ Misquitta, MJS Phipps, SL Price ACS omega 4 (5), 8614-8625, 2019 | 13 | 2019 |
| A molecular dynamics study of plasticiser migration in nitrocellulose binders LA Richards, A Nash, MJS Phipps, NH de Leeuw New Journal of Chemistry 42 (21), 17420-17428, 2018 | 13 | 2018 |
| Mechanism of Os-catalyzed oxidative cyclization of 1, 5-dienes AA Hussein, MJS Phipps, CK Skylaris, RCD Brown The Journal of Organic Chemistry 84 (23), 15173-15183, 2019 | 7 | 2019 |
| Energy decomposition analysis for large-scale first principles quantum mechanical simulations of biomolecules M Phipps, J Sebastian University of Southampton, 2017 | | 2017 |
| Energy Decomposition Analysis (EDA) in ONETEP M Phipps | | 2016 |
| Empirical Dispersion Correction Within ONETEP M Phipps, A Bhandari | | 2013 |
| Supporting Information to “Energy decomposition analysis based on absolutely localised molecular orbitals for large-scale density functional theory calculations in drug design” MJS Phipps, T Fox, CS Tautermann, CK Skylaris | | |
