Size-and-shape space gaussian mixture models for structural clustering of molecular dynamics trajectories H Klem, GM Hocky, M McCullagh Journal of chemical theory and computation 18 (5), 3218-3230, 2022 | 20 | 2022 |
Residue-level allostery propagates through the effective coarse-grained hessian PT Lake, RB Davidson, H Klem, GM Hocky, M McCullagh Journal of chemical theory and computation 16 (5), 3385-3395, 2020 | 19 | 2020 |
Modeling catalysis in allosteric enzymes: capturing conformational consequences H Klem, M McCullagh, RS Paton Topics in catalysis 65 (1), 165-186, 2022 | 3 | 2022 |
Catalytic Effects of Active Site Conformational Change in the Allosteric Activation of Imidazole Glycerol Phosphate Synthase H Klem, JV Alegre-Requena, RS Paton ACS catalysis 13 (24), 16249-16257, 2023 | | 2023 |
Supporting Information: The catalytic effects of active site conformational change in the allosteric activation of imidazole glycerol phosphate synthase H Klem, JV Alegre-Requena, RS Paton American Chemical Society, 2023 | | 2023 |
Identifying and quantifying allosteric pathways from molecular simulations H Klem, P Lake, R Davidson, R Paton, M McCullagh ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Modeling conformational heterogeneity in biomolecules H Klem, R Paton, M McCullagh, N Levinger, A Kennan, B Geiss Colorado State University. Libraries, 0 | | |
The Effective Coarse-grained Hessian Dictates Allostery in IGPS PT Lake, RB Davidson, H Klem, GM Hocky, M McCullagh | | |