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Proteins|July 2, 2004
Molecular determinants of thapsigargin binding by SERCA Ca2+-ATPase: a computational docking studyStefan Paula, William James Ball
Biophysical Chemistry|February 20, 2010
Comparison of current docking tools for the simulation of inhibitor binding by the transmembrane domain of the sarco/endoplasmic reticulum calcium ATPaseMichael Lape, Christopher Elam, Stefan Paula
Proteins|June 23, 2005
Molecular modeling of cardiac glycoside binding by the human sequence monoclonal antibody 1B3Stefan Paula, Nancy Monson, William James Ball
European Journal of Medicinal Chemistry|February 27, 2010
A molecular model for cocaine binding by the immunotherapeutic human/mouse chimeric monoclonal antibody 2E2Michael Lape, Stefan Paula, William J Ball
The Journal of Physical Chemistry. B|August 27, 2024
Druglike Molecules Binding to Large Membrane Proteins: Absolute Binding Free Energy ComputationQi Wang, Andrew Schirmer, Stefan Paula, et al.
Biochemistry|January 12, 2005
Interactions between cardiac glycosides and sodium/potassium-ATPase: three-dimensional structure-activity relationship models for ligand binding to the E2-Pi form of the enzyme versus activity inhibitionStefan Paula, Michael R Tabet, William James Ball
The Journal of Membrane Biology|June 29, 2026
Structural Basis of SERCA Inhibition by Derivatives of di-tert-butylhydroquinone Revealed by X-ray CrystallographyRyuta Kanai, Ayami Hirata, Chikashi Toyoshima, et al.
Journal of Enzyme Inhibition and Medicinal Chemistry|February 13, 2014
Novel phenolic inhibitors of the sarco/endoplasmic reticulum calcium ATPase: identification and characterization by quantitative structure-activity relationship modeling and virtual screeningStefan Paula, Emily Hofmann, John Burden, et al.
Proteins|September 20, 2007
Molecular determinants of sarco/endoplasmic reticulum calcium ATPase inhibition by hydroquinone-based compoundsMichael Lape, Christopher Elam, Maria Versluis, et al.
Journal of Computer-Aided Molecular Design|May 4, 2021
Development and interpretation of a QSAR model for in vitro breast cancer (MCF-7) cytotoxicity of 2-phenylacrylonitrilesDavid T Stanton, Jennifer R Baker, Adam McCluskey, et al.
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