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Kate Lebold
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BOCS: Bottom-up open-source coarse-graining software
NJH Dunn, KM Lebold, MR DeLyser, JF Rudzinski, WG Noid
The Journal of Physical Chemistry B 122 (13), 3363-3377, 2017
522017
Dual approach for effective potentials that accurately model structure and energetics
KM Lebold, WG Noid
The Journal of chemical physics 150 (23), 2019
422019
Systematic study of temperature and density variations in effective potentials for coarse-grained models of molecular liquids
KM Lebold, WG Noid
The Journal of Chemical Physics 150 (1), 2019
322019
Dual-potential approach for coarse-grained implicit solvent models with accurate, internally consistent energetics and predictive transferability
KM Lebold, WG Noid
The Journal of Chemical Physics 151 (16), 164113, 2019
262019
Tuning formation of protein–DNA coacervates by sequence and environment
KM Lebold, RB Best
The Journal of Physical Chemistry B 126 (12), 2407-2419, 2022
92022
Formation of deprotonated 2-imidazoline-4 (5)-one product ions in the collision-induced dissociation of some serine-containing dipeptides
JS Swan, PM Findeis, S Hilton, KM Lebold, B Temelso, GC Shields
International Journal of Mass Spectrometry 381, 25-32, 2015
12015
A Dual Potential Approach for Modeling Structure and Energetics with Coarse-Grained Models
KM Lebold
The Pennsylvania State University, 2019
2019
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