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Biochemistry|April 17, 2026
The Role of Metal Complexation in the Unfolding Energetics of a Nudix HydrolaseNicolas Alt, Yi Zhuang, Stephen Quirk, et al.Journal of Chemical Theory and Computation|March 2, 2016
Determining the Energetics of Small β-Sheet Peptides using Adaptive Steered Molecular DynamicsHailey R Bureau, Eli Hershkovits, Stephen Quirk, et al.Journal of Chemical Theory and Computation|December 1, 2015
Adaptive Steered Molecular Dynamics of the Long-Distance Unfolding of Neuropeptide YGungor Ozer, Edward F Valeev, Stephen Quirk, et al.The Journal of Organic Chemistry|May 11, 2002
"Fleximers". Design and synthesis of a new class of novel shape-modified nucleosides(1)Katherine L Seley, Liang Zhang, Asmerom Hagos, et al.Biophysical Journal|September 19, 2006
Dihedral-angle information entropy as a gauge of secondary structure propensityShi Zhong, Jeremy M Moix, Stephen Quirk, et al.Bioorganic & Medicinal Chemistry Letters|June 5, 2003
Unexpected inhibition of S-adenosyl-L-homocysteine hydrolase by a guanosine nucleosideKatherine L Seley, Stephen Quirk, Samer Salim, et al.Plos One|May 14, 2015
Constrained Unfolding of a Helical Peptide: Implicit versus Explicit SolventsHailey R Bureau, Dale R Merz, Eli Hershkovits, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 20, 2022
Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force FieldsCaley Allen, Hailey R Bureau, T Dwight McGee, et al.Protein Science : a Publication of the Protein Society|October 12, 2022
Bioplastic degradation by a polyhydroxybutyrate depolymerase from a thermophilic soil bacteriumGwendell M Thomas, Stephen Quirk, Dustin J E Huard, et al.Biophysical Journal|March 29, 2021
Energetics and structure of alanine-rich α-helices via adaptive steered molecular dynamicsYi Zhuang, Hailey R Bureau, Christine Lopez, et al.Pageof 4