Jeremy Parks

Affiliations: 
ECE University of Florida, Gainesville, Gainesville, FL, United States 
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Pavlova A, Zhang Z, Acharya A, et al. (2021) Machine Learning Reveals the Critical Interactions for SARS-CoV-2 Spike Protein Binding to ACE2. The Journal of Physical Chemistry Letters. 5494-5502
Acharya A, Agarwal R, Baker MB, et al. (2020) Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. Journal of Chemical Information and Modeling
Acharya A, Agarwal R, Baker M, et al. (2020) Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. Chemrxiv : the Preprint Server For Chemistry
Sandoz KM, Moore RA, Beare PA, et al. (2020) β-Barrel proteins tether the outer membrane in many Gram-negative bacteria. Nature Microbiology
Pavlova A, Lynch DL, Daidone I, et al. (2020) Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease. Biorxiv : the Preprint Server For Biology
Hwang H, Hazel A, Lian P, et al. (2019) A Minimal Membrane Metal Transport System: Dynamics and Energetics of mer Proteins. Journal of Computational Chemistry
Hazel A, Abdali N, Leus I, et al. (2019) Conformational dynamics of AcrA govern multidrug efflux pump assembly. Acs Infectious Diseases
Darzynkiewicz ZM, Green AT, Abdali N, et al. (2019) Identification of Binding Sites for Efflux Pump Inhibitors of the AcrAB-TolC Component AcrA. Biophysical Journal
Hwang H, Paracini N, Parks JM, et al. (2018) Distribution of mechanical stress in the Escherichia coli cell envelope. Biochimica Et Biophysica Acta. Biomembranes
Pavlova A, Parks JM, Gumbart JC. (2018) Development of CHARMM-compatible force-field parameters for cobalamin and related cofactors from quantum mechanical calculations. Journal of Chemical Theory and Computation
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