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Heidi Klem
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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
202022
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
192020
Modeling catalysis in allosteric enzymes: capturing conformational consequences
H Klem, M McCullagh, RS Paton
Topics in catalysis 65 (1), 165-186, 2022
32022
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
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Articles 1–8