Permeation Enhancer-Induced Membrane Defects Assist the Oral Absorption of Peptide Drugs
K. J. Colston, K. T. Faivre, S. T. Schneebeli, ChemRxiv. 2025; doi:10.26434/chemrxiv-2025-n24f8. This content is a preprint and has not been peer-reviewed.
Multiscale Simulations to Discover Self-Assembled Oligopeptides: A Benchmarking Study
S. Thapa, F. Clark, S. T. Schneebeli, J. Li. J. Chem. Theory Comput. 2024, 20, 375–384.
Kinetically Controlled Synthesis of Rotaxane Geometric Isomers
D. R. McCarthy, K. Xu, M. E. Schenkelberg, N. A. Balegamire, H. Liang, S. A. Bellino, J. Li, S. T. Schneebeli, Chem. Sci.2024, 15, 4860–4870.
Nano-Bio Interactions between DNA Nanocages and Human Serum Albumin
D. R. McCarthy, J. M. Remington, J. B. Ferrel, S. T. Schneebeli, J. Li J. Chem. Theory Comput. 2023, 19, 7873–7881. Cover Art.
Structural and Functional Fine Mapping of Cysteines in Mammalian Glutaredoxin Reveal their Differential Oxidation Susceptibility
E. M. Corteselli, M. Sharafi, R. Hondal, M. MacPherson, S. White, Y.-W. Lam, C. Gold, A. M. Manuel, A. van der Vliet, S. T. Schneebeli, V. Anathy, J. Li, Y. M. W. Janssen-Heininger Nature Commun. 2023, 14, 4550.
Efficient Multigram Procedure for the Synthesis of Large Hydrazone-Linked Molecular Cages
O. Vestrheim, M. E. Schenkelberg, Q. Dai, S. T. Schneebeli Org. Chem. Front. 2023, 10, 3965-3974. Front Cover.
GPCRLigNet: Rapid screening for GPCR Active Ligands using Machine Learning
J. M. Remington, K. T. McKay, N. B. Beckage, J. B. Ferrell, S. T. Schneebeli, J. Li J. Comput. Aid. Mol. Design 2023, 37, 147–156.
Helical Molecular Springs with Varying Spring Constants
K. E. Murphy, K. T. McKay, M. Schenkelberg, M. Sharafi, O. Vestrheim, M. Ivancic, J. Li, S. T. Schneebeli Angew. Chem. Int. Ed. 2022, 61, e202209772. Cover Art.
Essential Dynamics Ensemble Docking for Structure-Based GPCR Drug Discovery
K. T. McKay, N. B. Hamilton, J. R. Remington, S. T. Schneebeli, J. Li, Front. Mol. Biosci. 2022, 9, 879212
Concerted Rolling and Penetration of Peptides during Membrane Binding
J. M. Remington, J. B. Ferrell, S. T. Schneebeli, J. Li., J. Chem. Theory Comput., 2022, 18, 3921–3929
NMR-based Quality Assessment of Vermont Grown Saffron (Crocus Sativus L.) — Optimal Drying Conditions and Mechanistic Implications
A. Ghalehgolabbehbahani, O. Vestrheim, M. Skinner, J. Li, S. T. Schneebeli., ACS Food Sci Technol. 2022, 2, 315–320. Cover Art.
Outcome-Based Redesign of Physical Chemistry Laboratories During the COVID-19 Pandemic
N. B. Hamilton, J. M. Remington, S. T. Schneebeli, J. Li.J. Chem. Educ. 2022, 99, 2, 639–645