Predicting ligand binding affinity using on-and off-rates for the SAMPL6 SAMPLing challenge T Dixon, SD Lotz, A Dickson Journal of computer-aided molecular design 32 (10), 1001-1012, 2018 | 39 | 2018 |
On calculating free energy differences using ensembles of transition paths R Hall, T Dixon, A Dickson Frontiers in molecular biosciences 7, 106, 2020 | 35 | 2020 |
Membrane-mediated ligand unbinding of the PK-11195 ligand from TSPO T Dixon, A Uyar, S Ferguson-Miller, A Dickson Biophysical journal 120 (1), 158-167, 2021 | 32 | 2021 |
Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry T Dixon, D MacPherson, B Mostofian, T Dauzhenka, S Lotz, D McGee, ... Nature communications 13 (1), 5884, 2022 | 29 | 2022 |
Atomic-resolution prediction of degrader-mediated ternary complex structures by combining molecular simulations with hydrogen deuterium exchange T Dixon, D MacPherson, B Mostofian, T Dauzhenka, S Lotz, D McGee, ... Biorxiv, 2021.09. 26.461830, 2021 | 12 | 2021 |
Creating Maps of the Ligand Binding Landscape for Kinetics-Based Drug Discovery T Dixon, SD Lotz, A Dickson Computational Methods for Estimating the Kinetic Parameters of Biological …, 2021 | | 2021 |
Correction terms for calculating binding free energy using rates from nonequilibrium simulations R Hall, T Dixon, A Dickson | | 2020 |
Wepy: Tool for exploring rough free energy landscapes S Lotz, N Donyapour, N Roussey, T Dixon, A Dickson ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |