| [1] |
Austin M Cool and Steffen Lindert
"Umbrella Sampling Simulations of Cardiac Thin Filament Reveal Thermodynamic Consequences of Troponin I Inhibitory Peptide Mutations."
J Chem Inf Model 63, 3534-3543 (2023).
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| [2] |
Eric R Hantz, Svetlana B Tikunova, Natalya Belevych, Jonathan P Davis, Peter J Reiser, and Steffen Lindert
"Targeting Troponin C with Small Molecules Containing Diphenyl Moieties: Calcium Sensitivity Effects on Striated Muscles and Structure-Activity Relationship."
J Chem Inf Model 63, 3462-3473 (2023).
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| [3] |
Eric R Hantz and Steffen Lindert
"Computational Exploration and Characterization of Potential Calcium Sensitizing Mutations in Cardiac Troponin C."
J Chem Inf Model 62, 6201-6208 (2022).
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| [4] |
Kaveh Rayani, Eric R Hantz, Omid Haji-Ghassemi, Alison Y Li, Anne M Spuches, Filip Van Petegem, R John Solaro, Steffen Lindert, and Glen F Tibbits
"The effect of Mg"
FEBS J 289, 7446-7465 (2022).
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| [5] |
Eric R Hantz and Steffen Lindert
"Actives-Based Receptor Selection Strongly Increases the Success Rate in Structure-Based Drug Design and Leads to Identification of 22 Potent Cancer Inhibitors."
J Chem Inf Model 62, 5675-5687 (2022).
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| [6] |
Austin M Cool and Steffen Lindert
"Umbrella Sampling Simulations Measure Switch Peptide Binding and Hydrophobic Patch Opening Free Energies in Cardiac Troponin."
J Chem Inf Model 62, 5666-5674 (2022).
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| [7] |
Tung T Nguyen, Daniel R Marzolf, Justin T Seffernick, Sten Heinze, and Steffen Lindert
"Protein structure prediction using residue-resolved protection factors from hydrogen-deuterium exchange NMR."
Structure 30, 313-320.e3 (2022).
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| [8] |
Sm Bargeen Alam Turzo, Eric R Hantz, and Steffen Lindert
"Applications of machine learning in computer-aided drug discovery."
QRB Discov 3, e14 (2022).
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| [9] |
Daniel R Marzolf, Justin T Seffernick, and Steffen Lindert
"Protein Structure Prediction from NMR Hydrogen-Deuterium Exchange Data."
J Chem Theory Comput 17, 2619-2629 (2021).
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| [10] |
Eric R Hantz and Steffen Lindert
"Adaptative Steered Molecular Dynamics Study of Mutagenesis Effects on Calcium Affinity in the Regulatory Domain of Cardiac Troponin C."
J Chem Inf Model 61, 3052-3057 (2021).
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| [11] |
Austin M Cool and Steffen Lindert
"Computational Methods Elucidate Consequences of Mutations and Post-translational Modifications on Troponin I Effective Concentration to Troponin C."
J Phys Chem B 125, 7388-7396 (2021).
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| [12] |
Stephanie S Kim, Michele J Alves, Patrick Gygli, Jose Otero, and Steffen Lindert
"Identification of Novel Cyclin A2 Binding Site and Nanomolar Inhibitors of Cyclin A2-CDK2 Complex."
Curr Comput Aided Drug Des 17, 57-68 (2021).
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| [13] |
Justin T Seffernick, He Ren, Stephanie S Kim, and Steffen Lindert
"Measuring Intrinsic Disorder and Tracking Conformational Transitions Using Rosetta ResidueDisorder."
J Phys Chem B 123, 7103-7112 (2019).
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| [14] |
Stephanie S Kim, Melanie L Aprahamian, and Steffen Lindert
"Improving inverse docking target identification with Z-score selection."
Chem Biol Drug Des 93, 1105-1116 (2019).
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| [15] |
Stephanie S Kim, Justin T Seffernick, and Steffen Lindert
"Accurately Predicting Disordered Regions of Proteins Using Rosetta ResidueDisorder Application."
J Phys Chem B 122, 3920-3930 (2018).
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