Unbiased molecular dynamics of 11 min timescale drug unbinding reveals transition state stabilizing interactions SD Lotz, A Dickson Journal of the American Chemical Society 140 (2), 618-628, 2018 | 123 | 2018 |
Multiple ligand unbinding pathways and ligand-induced destabilization revealed by WExplore A Dickson, SD Lotz Biophysical journal 112 (4), 620-629, 2017 | 87 | 2017 |
Ligand release pathways obtained with WExplore: residence times and mechanisms A Dickson, SD Lotz The Journal of Physical Chemistry B 120 (24), 5377-5385, 2016 | 58 | 2016 |
Genetic basis of photosynthetic responses to cold in two locally adapted populations of Arabidopsis thaliana CG Oakley, L Savage, S Lotz, GR Larson, MF Thomashow, DM Kramer, ... Journal of Experimental Botany 69 (3), 699-709, 2018 | 52 | 2018 |
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 |
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 | 32 | 2022 |
Wepy: a flexible software framework for simulating rare events with weighted ensemble resampling SD Lotz, A Dickson ACS omega 5 (49), 31608-31623, 2020 | 22 | 2020 |
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 |
How robust is the ligand binding transition state? S Bose, SD Lotz, I Deb, M Shuck, KSS Lee, A Dickson Journal of the American Chemical Society 145 (46), 25318-25331, 2023 | | 2023 |
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 |
Studies in Ligand Unbinding Transition State Plasticity for Kinetics-Oriented Drug Design SD Lotz Michigan State University, 2021 | | 2021 |
Predicting plasticity of ligand-unbinding transition states for a library of minutes-scale kd inhibitors S Lotz ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Data from: Genetic basis of photosynthetic responses to cold in two locally adapted populations of Arabidopsis thaliana CG Oakley, L Savage, S Lotz, GR Larson, MF Thomashow, DM Kramer, ... Michigan State Univ., East Lansing, MI (United States), 2018 | | 2018 |