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Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents
by
Bureau, Hailey R
,
Merz, Jr, Dale R
,
Hershkovits, Eli
,
Quirk, Stephen
,
Hernandez, Rigoberto
Published in
PloS one
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Energetics and structure of alanine-rich α-helices via adaptive steered molecular dynamics
by
Zhuang, Yi
,
Bureau, Hailey R.
,
Lopez, Christine
,
Bucher, Ryan
,
Quirk, Stephen
,
Hernandez, Rigoberto
Published in
Biophysical journal
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The relative stability of trpzip1 and its mutants determined by computation and experiment
by
Bureau, Hailey R
,
Quirk, Stephen
,
Hernandez, Rigoberto
Published in
RSC advances
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Tertiary Plasticity Drives the Efficiency of Enterocin 7B Interactions with Lipid Membranes
by
Zhuang, Yi
,
Quirk, Stephen
,
Stover, Erica R.
,
Bureau, Hailey R.
,
Allen, Caley R.
,
Hernandez, Rigoberto
Published in
The journal of physical chemistry. B
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Adaptive steered molecular dynamics of biomolecules
by
Zhuang, Yi
,
Bureau, Hailey R.
,
Quirk, Stephen
,
Hernandez, Rigoberto
Published in
Molecular simulation
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Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force Fields
by
Allen, Caley
,
Bureau, Hailey R.
,
McGee, T. Dwight
,
Quirk, Stephen
,
Hernandez, Rigoberto
Published in
Chemphyschem
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Determining the Energetics of Small β‑Sheet Peptides using Adaptive Steered Molecular Dynamics
by
Bureau, Hailey R
,
Hershkovits, Eli
,
Quirk, Stephen
,
Hernandez, Rigoberto
Published in
Journal of chemical theory and computation
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Determining the Energetics of Small [beta]-Sheet Peptides using Adaptive Steered Molecular Dynamics
by
Bureau, Hailey R
,
Hershkovits, Eli
,
Quirk, Stephen
,
Hernandez, Rigoberto
Published in
Journal of chemical theory and computation
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