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 This content is a preprint and has not been peer-reviewed.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
Molecular Basis for Environment Sensing by a Nucleoid-Structuring Bacterial Protein Filament
X. Zhao, J. Remington, S. T. Schneebeli, S. Arold, J. Li, J. Phys. Chem. Lett. 2021, 12, 32, 7878–7884
Enhanced sampling protocol to elucidate fusion peptide opening of SARS-CoV-2 spike protein
J. M. Remington, K. T. McKay, J. B. Ferrell, S. T. Schneebeli, J. Li, Biophys. J. 2021, 120, 2848-2858
Carbonyl-to-Alkyne Electron Donation Effects in up to 10-nm-Long, Unimolecular Oligo(p-phenylene ethynylenes)
S. C. Rajappan, O. Vestrheim, M. Sharafi, J. Li, S. T. Schneebeli, Org. Materials (Special Issue, Emerging Stars in Organic Materials) 2021, 3(2), 337-345
Iterative Exponential Growth of Oxygen-Linked Aromatic Polymers Driven by Nucleophilic Aromatic Substitution Reactions
. J. Jaynes, M. Sharafi, J. P. Campbell, J. Bocanegra, K. T. McKay, K. Little, R. O. Brown, D. L. Gray, T. J. Woods., J. Li, S. T. Schneebeli, Front. Chem (Special Issue, Rising Stars 2020) 2021
Chiral Auxiliaries for Stereoselective Electrophilic Aromatic Substitutions
M. Sharafi, J. P. Campbell, K. E. Murphy, R. O. Brown, S. T. Schneebeli, Synlett (Synpacts) 2021, 32, 229–234
Aggregation State of Synergistic Antimicrobial Peptides
J. M. Remington, C. Liao, M. Sharafi, E. J. Ste.Marie, J. B. Ferrell, R. J. Hondal, M. J. Wargo, S. T. Schneebeli, J. Li, J. Phys. Chem. Lett. 2020, 11, 9501–9506
Selective Monofunctionalization Enabled by Reaction History-Dependent Communication in Catalytic Rotaxanes
S. C. Rajappan, D. R. McCarthy, J. P. Campbell, J. B. Ferrell, M. Sharafi, O. Ambrozaite, J. Li, S. T. Schneebeli, Angew. Chem. Int. Ed. 2020, 59, 16668–16674
Size-Selective Catalytic Polymer Acylation with a Molecular Tetrahedron
M. Sharafi, K. T. McKay, M. Ivancic, D. R. McCarthy, N. Dudkina, K. E. Murphy, S. C. Rajappan, J. P. Campbell, Y. Shen, A. R. Badireddy, J. Li, S. T. Schneebeli, Chem (Cell Press) 2020, 6, 1469–1494