Molecular Basis of Calcium-Sensitizing and Desensitizing Mutations of the Human Cardiac Troponin C Regulatory Domain: A Multi-Scale Simulation Study. - Peter Michael Kekenes-Huskey; Steffen Lindert; James Andrew McCammon (PLoS Comput. Biol., 2012)

Computational determination of the orientation of a heat repeat-like domain of DNA-PKcs. - Steffen Lindert; Phoebe L. Stewart; Jens Meiler (Comput. Biol. Chem., 2013)

In silico screening for Plasmodium falciparum enoyl-ACP reductase inhibitors. - Steffen Lindert; Lorillee Tallorin; Quynh G. Nguyen; Michael D. Burkart; James Andrew McCammon (J. Comput. Aided Mol. Des., 2015)

Successful Identification of Cardiac Troponin Calcium Sensitizers Using a Combination of Virtual Screening and ROC Analysis of Known Troponin C Binders. - Melanie L. Aprahamian; Svetlana B. Tikunova; Morgan V. Price; Andres F. Cuesta; Jonathan P. Davis; Steffen Lindert (J. Chem. Inf. Model., 2017)

Mechanism of Cardiac Troponin C Calcium Sensitivity Modulation by Small Molecules Illuminated by Umbrella Sampling Simulations. - Jacob D. Bowman; William H. Coldren; Steffen Lindert (J. Chem. Inf. Model., 2019)

Discovery of Novel Small-Molecule Calcium Sensitizers for Cardiac Troponin C: A Combined Virtual and Experimental Screening Approach. - William H. Coldren; Svetlana B. Tikunova; Jonathan P. Davis; Steffen Lindert (J. Chem. Inf. Model., 2020)

Using NMR Chemical Shifts and Cryo-EM Density Restraints in Iterative Rosetta-MD Protein Structure Refinement. - Sumudu P. Leelananda; Steffen Lindert (J. Chem. Inf. Model., 2020)

Adaptative Steered Molecular Dynamics Study of Mutagenesis Effects on Calcium Affinity in the Regulatory Domain of Cardiac Troponin C. - Eric R. Hantz; Steffen Lindert (J. Chem. Inf. Model., 2021)

Umbrella Sampling Simulations Measure Switch Peptide Binding and Hydrophobic Patch Opening Free Energies in Cardiac Troponin. - Austin M. Cool; Steffen Lindert (J. Chem. Inf. Model., 2022)

Actives-Based Receptor Selection Strongly Increases the Success Rate in Structure-Based Drug Design and Leads to Identification of 22 Potent Cancer Inhibitors. - Eric R. Hantz; Steffen Lindert (J. Chem. Inf. Model., 2022)

Computational Exploration and Characterization of Potential Calcium Sensitizing Mutations in Cardiac Troponin C. - Eric R. Hantz; Steffen Lindert (J. Chem. Inf. Model., 2022)

Umbrella Sampling Simulations of Cardiac Thin Filament Reveal Thermodynamic Consequences of Troponin I Inhibitory Peptide Mutations. - Austin M. Cool; Steffen Lindert (J. Chem. Inf. Model., 2023)

Targeting Troponin C with Small Molecules Containing Diphenyl Moieties: Calcium Sensitivity Effects on Striated Muscles and Structure-Activity Relationship. - Eric R. Hantz; Svetlana B. Tikunova; Natalya Belevych; Jonathan P. Davis; Peter J. Reiser; Steffen Lindert (J. Chem. Inf. Model., 2023)

Predicting ion mobility collision cross sections using projection approximation with ROSIE-PARCS webserver. - S. M. Bargeen Alam Turzo; Justin T. Seffernick; Sergey Lyskov; Steffen Lindert (Briefings Bioinform., 2023)

Discovery of Nanomolar Inhibitors for Human Dihydroorotate Dehydrogenase Using Structure-Based Drug Discovery Methods. - William T. Higgins; Sandip Vibhute; Chad Bennett; Steffen Lindert (J. Chem. Inf. Model., 2024)