Machine Learning in a Molecular Modeling Course for Chemistry, Biochemistry, and Biophysics Student
J. M. Remington, J. B. Ferrell, M. Zorman, A. Petrucci, S. T. Schneebeli, J. Li, The Biophysicist 2020, 1, 11
Precise Molecular Shape Control of Linear and Branched Strips with Chirality-Assisted Synthesis
J. P. Campbell, M. Sharafi, K. E. Murphy, J. L. Bocanegra, S. T. Schneebeli, Supramol. Chem. 2019, 80, 565–574, Special Issue, Emerging Supramolecular Chemists in North America.
Chemical Exploration with Virtual Reality in Organic Teaching Laboratories
J. B. Ferrell, J. P. Campbell, D. R. McCarthy, K. T. McKay, M. Hensinger, R. Srinivasan, X. Zhao, A. Wurthmann, J. Li, S. T. Schneebeli, J. Chem. Educ. 2019, 96, 1961–1966
A Top-Down Multiscale Approach to Simulate Peptide Self-Assembly from Monomers
X. Zhao, C. Liao, Y. Ma, J. B. Ferrell, S. T. Schneebeli, J. Li, J. Chem. Theory Comput. 2019, 15, 1514–1522
Enantioselective Electrophilic Aromatic Nitration — A Chiral Auxiliary Approach
J. P. Campbell, S. C. Rajappan, T. J. Jaynes, M. Sharafi, Y. Ma, J. Li, S. T. Schneebeli, Angew. Chem. Int. Ed. 2019, 58, 1035–1040
Targeting the PAC1 Receptor for Neurological and Metabolic Disorders
C. Liao, M. Poujol de Molliens, S. T. Schneebeli, M. Brewer, G. Song, D. Chatenet, K. M. Braas, V. May, J. Li, Curr. Top. Med. Chem. 2019, 19, 1399–1417.
The Effect of Large Electrolyte Anions on the Sequential Oxidations of Bis(fulvalene)diiron Attached to Glassy Carbon by an Ethynyl Linkage
M. V. Sheridan, P. Gamm, S. T. Schneebeli, R. Breuer, M. Schmittel, W. E. Geiger, Langmuir 2018, 34, 1327–1339
Crystal Packing-driven Enrichment of Atropoisomers
M. Sharafi, J. P. Campbell, S. C. Rajappan, N. Dudkina, D. L. Gray, T. J. Woods, J. Li, S. T. Schneebeli, Angew. Chem. Int. Ed. 2017, 56, 7097–7081.
Precise Through-space Control of an Abiotic Electrophilic Aromatic Substitution Reaction
K. E. Murphy, J. L. Bocanegra, X. Liu, H.-Y. K. Chau, P. C. Lee, J. Li, S. T. Schneebeli, Nature Commun. 2017, 8, 14840.
Capturing the Multiscale Dynamics of Membrane Protein Complexes with All-Atom, Mixed-Resolution, and Coarse-Grained Models
C. Liao, X. Zhao, J. Liu, S. T. Schneebeli, J. C. Shelley, J. Li, Phys. Chem. Chem. Phys. 2017, 19, 9181–9188.
Controlled Self-Assembly Inside C-Shaped Polyaromatic Strips
M. Sharafi, Z. J. Weinert, I. M. Cohen, C. Liao, M. Ivancic, J. Li, and S. T. Schneebeli, Synlett 2016, 27, 2145–2149, Special Issue. Cluster Report on the 'Synthesis of Non-planar Polyaromatic Compounds'.
Anodic Methods for Covalent Attachment of Ethynylferrocenes to Electrode Surfaces: Comparison of Ethynyl Activation Processes
M. V. Sheridan, K. Lam, M. Sharafi, and S. T. Schneebeli, W. E. Geiger, Langmuir 2016, 32, 1645–1657.
Regulating Molecular Recognition with C-Shaped Strips Attained by Chirality-Assisted Synthesis
X. Liu, Z. J. Weinert, M. Sharafi, C. Liao, J. Li, and S. T. Schneebeli, Angew. Chem. Int. Ed. 2015, 54, 12772–12776.
Melittin Aggregation in Aqueous Solutions: Insight from Molecular Dynamics Simulations
C. Liao, M. E. Selvan, J. Zhao, J. L. Slimovitch, S. T. Schneebeli, M. Shelley, J. C. Shelley, and J. Li, J. Phys. Chem. B 2015, 119, 10390–10398.