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 | 52 | 2017 |
Dual approach for effective potentials that accurately model structure and energetics KM Lebold, WG Noid The Journal of chemical physics 150 (23), 2019 | 42 | 2019 |
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 | 32 | 2019 |
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 | 26 | 2019 |
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 | 9 | 2022 |
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 | 1 | 2015 |
A Dual Potential Approach for Modeling Structure and Energetics with Coarse-Grained Models KM Lebold The Pennsylvania State University, 2019 | | 2019 |