The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals. - Art E. Cho; John A. Wendel; Nagarajan Vaidehi; Peter M. Kekenes-Huskey; Wely B. Floriano; Prabal K. Maiti; William A. Goddard III (J. Comput. Chem., 2005)

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)

Co-localization and confinement of ecto-nucleotidases modulate extracellular adenosine nucleotide distributions. - Hadi Rahmaninejad; Tom Pace; Shashank Bhatt; Bin Sun 005; Peter M. Kekenes-Huskey (PLoS Comput. Biol., 2020)

Non-Canonical Interaction between Calmodulin and Calcineurin Contributes to the Differential Regulation of Plant-Derived Calmodulins on Calcineurin. - Bin Sun 005; Xuan Fang; Christopher N. Johnson; Garrett Hauck; Yongjun Kou; Jonathan P. Davis; Peter M. Kekenes-Huskey (J. Chem. Inf. Model., 2021)

Calmodulin's Interdomain Linker Is Optimized for Dynamics Signal Transmission and Calcium Binding. - Bin Sun 005; Peter M. Kekenes-Huskey (J. Chem. Inf. Model., 2022)

Molecular Insights into the MLCK Activation by CaM. - Xuan Fang; Vladimir Bogdanov; Jonathan P. Davis; Peter M. Kekenes-Huskey (J. Chem. Inf. Model., 2023)