| Year |
Citation |
Score |
| 2023 |
Thapa S, Clark F, Schneebeli ST, Li J. Multiscale Simulations to Discover Self-Assembled Oligopeptides: A Benchmarking Study. Journal of Chemical Theory and Computation. PMID 38013425 DOI: 10.1021/acs.jctc.3c00699 |
0.422 |
|
| 2023 |
McCarthy DR, Remington JM, Ferrell JB, Schneebeli ST, Li J. Nano-Bio Interactions between DNA Nanocages and Human Serum Albumin. Journal of Chemical Theory and Computation. PMID 37877553 DOI: 10.1021/acs.jctc.3c00720 |
0.416 |
|
| 2023 |
Corteselli EM, Sharafi M, Hondal R, MacPherson M, White S, Lam YW, Gold C, Manuel AM, van der Vliet A, Schneebeli ST, Anathy V, Li J, Janssen-Heininger YMW. Structural and functional fine mapping of cysteines in mammalian glutaredoxin reveal their differential oxidation susceptibility. Nature Communications. 14: 4550. PMID 37507364 DOI: 10.1038/s41467-023-39664-2 |
0.429 |
|
| 2023 |
Remington JM, McKay KT, Beckage NB, Ferrell JB, Schneebeli ST, Li J. GPCRLigNet: rapid screening for GPCR active ligands using machine learning. Journal of Computer-Aided Molecular Design. 37: 147-156. PMID 36840893 DOI: 10.1007/s10822-023-00497-2 |
0.426 |
|
| 2022 |
Murphy KE, McKay KT, Schenkelberg M, Sharafi M, Vestrheim O, Ivancic M, Li J, Schneebeli ST. Helical Molecular Springs with Varying Spring Constants. Angewandte Chemie (International Ed. in English). PMID 36161747 DOI: 10.1002/anie.202209772 |
0.485 |
|
| 2022 |
McKay K, Hamilton NB, Remington JM, Schneebeli ST, Li J. Essential Dynamics Ensemble Docking for Structure-Based GPCR Drug Discovery. Frontiers in Molecular Biosciences. 9: 879212. PMID 35847975 DOI: 10.3389/fmolb.2022.879212 |
0.447 |
|
| 2022 |
Li J, Remington JM, Liao C, Parsons RL, Schneebeli S, Braas KM, May V, Brewer M. GPCR Intracellular Loop Regulation of Beta-Arrestin-Mediated Endosomal Signaling Dynamics. Journal of Molecular Neuroscience : Mn. PMID 35538393 DOI: 10.1007/s12031-022-02016-8 |
0.403 |
|
| 2022 |
Remington JM, Ferrell JB, Schneebeli ST, Li J. Concerted Rolling and Penetration of Peptides during Membrane Binding. Journal of Chemical Theory and Computation. PMID 35507824 DOI: 10.1021/acs.jctc.2c00014 |
0.405 |
|
| 2021 |
Rajappan SC, Vestrheim O, Sharafi M, Li J, Schneebeli ST. Carbonyl-to-Alkyne Electron Donation Effects in up to 10-nm-Long, Unimolecular Oligo(-phenylene ethynylenes). Organic Materials. 3: 337-345. PMID 34505058 DOI: 10.1055/s-0041-1730899 |
0.789 |
|
| 2021 |
Zhao X, Remington JM, Schneebeli ST, Arold ST, Li J. Molecular Basis for Environment Sensing by a Nucleoid-Structuring Bacterial Protein Filament. The Journal of Physical Chemistry Letters. 7878-7884. PMID 34382809 DOI: 10.1021/acs.jpclett.1c01710 |
0.414 |
|
| 2021 |
Li J, McKay KT, Remington JM, Schneebeli ST. A computational study of cooperative binding to multiple SARS-CoV-2 proteins. Scientific Reports. 11: 16307. PMID 34381116 DOI: 10.1038/s41598-021-95826-6 |
0.421 |
|
| 2021 |
Remington JM, McKay KT, Ferrell JB, Schneebeli ST, Li J. Enhanced Sampling Protocol to Elucidate Fusion Peptide Opening of SARS-CoV-2 Spike Protein. Biophysical Journal. PMID 34087207 DOI: 10.1016/j.bpj.2021.05.022 |
0.438 |
|
| 2021 |
Jaynes TJ, Sharafi M, Campbell JP, Bocanegra J, McKay KT, Little K, Osadchey Brown R, Gray DL, Woods TJ, Li J, Schneebeli ST. Iterative Exponential Growth of Oxygen-Linked Aromatic Polymers Driven by Nucleophilic Aromatic Substitution Reactions. Frontiers in Chemistry. 9: 620017. PMID 33996739 DOI: 10.3389/fchem.2021.620017 |
0.496 |
|
| 2020 |
Remington JM, Ferrell JB, Zorman M, Petrucci A, Schneebeli ST, Li J. Machine Learning in a Molecular Modeling Course for Chemistry, Biochemistry, and Biophysics Students. Biophysicist (Rockville, Md.). 1. PMID 34337350 DOI: 10.35459/tbp.2019.000140 |
0.372 |
|
| 2020 |
Remington JM, Liao C, Sharafi M, Ste Marie EJ, Ferrell JB, Hondal RJ, Wargo MJ, Schneebeli ST, Li J. Aggregation State of Synergistic Antimicrobial Peptides. The Journal of Physical Chemistry Letters. 9501-9506. PMID 33108730 DOI: 10.1021/acs.jpclett.0c02094 |
0.4 |
|
| 2020 |
Sharafi M, McKay KT, Ivancic M, McCarthy DR, Dudkina N, Murphy KE, Rajappan SC, Campbell JP, Shen Y, Badireddy AR, Li J, Schneebeli ST. Size-selective Catalytic Polymer Acylation with a Molecular Tetrahedron. Chem. 6: 1469-1494. PMID 32728651 DOI: 10.1016/J.Chempr.2020.05.011 |
0.746 |
|
| 2020 |
Rajappan SC, McCarthy DR, Campbell JP, Ferrell JB, Sharafi M, Ambrozaite O, Li J, Schneebeli ST. Selective Monofunctionalization Enabled by Reaction History-Dependent Communication in Catalytic Rotaxanes. Angewandte Chemie (International Ed. in English). PMID 32525593 DOI: 10.1002/Anie.202006305 |
0.767 |
|
| 2019 |
Liao C, de Molliens MP, Schneebeli ST, Brewer M, Song G, Chatenet D, Braas KM, May V, Li J. Targeting the PAC1 Receptor for Neurological and Metabolic Disorders. Current Topics in Medicinal Chemistry. PMID 31284862 DOI: 10.2174/1568026619666190709092647 |
0.496 |
|
| 2019 |
Zhao X, Liao C, Ma YT, Ferrell JB, Schneebeli ST, Li J. A Top-Down Multiscale Approach to Simulate Peptide Self-Assembly from Monomers. Journal of Chemical Theory and Computation. PMID 30677300 DOI: 10.1021/Acs.Jctc.8B01025 |
0.489 |
|
| 2019 |
Ferrell JB, Campbell JP, McCarthy DR, McKay KT, Hensinger M, Srinivasan R, Zhao X, Wurthmann A, Li J, Schneebeli ST. Chemical Exploration with Virtual Reality in Organic Teaching Laboratories Journal of Chemical Education. 96: 1961-1966. DOI: 10.1021/Acs.Jchemed.9B00036 |
0.495 |
|
| 2019 |
Campbell JP, Rajappan SC, Jaynes TJ, Sharafi M, Ma Y, Li J, Schneebeli ST. Inside Back Cover: Enantioselective Electrophilic Aromatic Nitration: A Chiral Auxiliary Approach (Angew. Chem. Int. Ed. 4/2019) Angewandte Chemie International Edition. 58: 1219-1219. DOI: 10.1002/Anie.201814097 |
0.77 |
|
| 2018 |
Campbell JP, Rajappan SC, Jaynes TJ, Sharafi M, Ma YT, Li J, Schneebeli ST. Enantioselective Electrophilic Aromatic Nitration - A Chiral Auxiliary Approach. Angewandte Chemie (International Ed. in English). PMID 30402995 DOI: 10.1002/Anie.201811517 |
0.778 |
|
| 2018 |
Campbell JP, Rajappan SC, Jaynes TJ, Sharafi M, Ma Y, Li J, Schneebeli ST. Innenrücktitelbild: Enantioselective Electrophilic Aromatic Nitration: A Chiral Auxiliary Approach (Angew. Chem. 4/2019) Angewandte Chemie. 131: 1231-1231. DOI: 10.1002/Ange.201814097 |
0.768 |
|
| 2017 |
Sharafi M, Campbell JP, Rajappan SC, Dudkina N, Gray DL, Woods TJ, Li J, Schneebeli ST. Crystal-Packing-Driven Enrichment of Atropoisomers. Angewandte Chemie (International Ed. in English). PMID 28510353 DOI: 10.1002/Anie.201701876 |
0.763 |
|
| 2017 |
Murphy KE, Bocanegra JL, Liu X, Chau HK, Lee PC, Li J, Schneebeli ST. Precise through-space control of an abiotic electrophilic aromatic substitution reaction. Nature Communications. 8: 14840. PMID 28378788 DOI: 10.1038/Ncomms14840 |
0.55 |
|
| 2017 |
Liao C, Zhao X, Liu J, Schneebeli ST, Shelley JC, Li J. Capturing the multiscale dynamics of membrane protein complexes with all-atom, mixed-resolution, and coarse-grained models. Physical Chemistry Chemical Physics : Pccp. PMID 28317993 DOI: 10.1039/C7Cp00200A |
0.481 |
|
| 2016 |
Dale EJ, Ferris DP, Vermeulen NA, Henkelis JJ, Popovs I, Juricek M, Barnes JC, Schneebeli ST, Stoddart JF. Cooperative Reactivity in an Extended-Viologen-Based Cyclophane. Journal of the American Chemical Society. PMID 26909445 DOI: 10.1021/Jacs.6B01368 |
0.789 |
|
| 2016 |
Sharafi M, Weinert ZJ, Cohen IM, Liao C, Ivancic M, Li J, Schneebeli ST. Controlled Self-Assembly inside C-Shaped Polyaromatic Strips Synlett. 27: 2145-2149. DOI: 10.1055/S-0035-1561479 |
0.558 |
|
| 2016 |
Schneebeli ST, Strutt NL, Cheng C, Stoddart JF. CHAPTER 12: Pillararene-related macrocycles Monographs in Supramolecular Chemistry. 2016: 278-307. DOI: 10.1039/9781782622321-00278 |
0.724 |
|
| 2015 |
Wu Y, Young RM, Frasconi M, Schneebeli ST, Spenst P, Gardner DM, Brown KE, Würthner F, Stoddart JF, Wasielewski MR. Ultrafast Photoinduced Symmetry Breaking Charge Separation and Electron Sharing in Perylenediimide Molecular Triangles. Journal of the American Chemical Society. PMID 26418462 DOI: 10.1021/Jacs.5B08386 |
0.718 |
|
| 2015 |
Liu X, Weinert ZJ, Sharafi M, Liao C, Li J, Schneebeli ST. Regulating Molecular Recognition with C-Shaped Strips Attained by Chirality-Assisted Synthesis. Angewandte Chemie (International Ed. in English). 54: 12772-6. PMID 26349630 DOI: 10.1002/Anie.201506793 |
0.557 |
|
| 2015 |
Liao C, Esai Selvan M, Zhao J, Slimovitch JL, Schneebeli ST, Shelley M, Shelley JC, Li J. Melittin Aggregation in Aqueous Solutions: Insight from Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 26208115 DOI: 10.1021/Acs.Jpcb.5B03254 |
0.507 |
|
| 2015 |
Cheng C, McGonigal PR, Schneebeli ST, Li H, Vermeulen NA, Ke C, Stoddart JF. An artificial molecular pump. Nature Nanotechnology. 10: 547-53. PMID 25984834 DOI: 10.1038/Nnano.2015.96 |
0.776 |
|
| 2015 |
Liu X, Weinert ZJ, Sharafi M, Liao C, Li J, Schneebeli ST. Inside Cover: Regulating Molecular Recognition with C-Shaped Strips Attained by Chirality-Assisted Synthesis (Angew. Chem. Int. Ed. 43/2015) Angewandte Chemie International Edition. 54: 12518-12518. DOI: 10.1002/Anie.201508443 |
0.539 |
|
| 2015 |
Liu X, Weinert ZJ, Sharafi M, Liao C, Li J, Schneebeli ST. Innentitelbild: Regulating Molecular Recognition with C-Shaped Strips Attained by Chirality-Assisted Synthesis (Angew. Chem. 43/2015) Angewandte Chemie. 127: 12700-12700. DOI: 10.1002/Ange.201508443 |
0.538 |
|
| 2014 |
Liu Z, Liu G, Wu Y, Cao D, Sun J, Schneebeli ST, Nassar MS, Mirkin CA, Stoddart JF. Assembly of supramolecular nanotubes from molecular triangles and 1,2-dihalohydrocarbons. Journal of the American Chemical Society. 136: 16651-60. PMID 25357152 DOI: 10.1021/Ja509480U |
0.784 |
|
| 2014 |
Strutt NL, Zhang H, Schneebeli ST, Stoddart JF. Amino-functionalized pillar[5]arene. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 10996-1004. PMID 25056915 DOI: 10.1002/Chem.201403235 |
0.782 |
|
| 2014 |
Wu Y, Frasconi M, Gardner DM, McGonigal PR, Schneebeli ST, Wasielewski MR, Stoddart JF. Electron delocalization in a rigid cofacial naphthalene-1,8:4,5-bis(dicarboximide) dimer. Angewandte Chemie (International Ed. in English). 53: 9476-81. PMID 25044761 DOI: 10.1002/Anie.201403816 |
0.798 |
|
| 2014 |
Strutt NL, Zhang H, Schneebeli ST, Stoddart JF. Functionalizing pillar[n]arenes. Accounts of Chemical Research. 47: 2631-42. PMID 24999824 DOI: 10.1021/Ar500177D |
0.774 |
|
| 2014 |
Liu Z, Lei J, Frasconi M, Li X, Cao D, Zhu Z, Schneebeli ST, Schatz GC, Stoddart JF. A square-planar tetracoordinate oxygen-containing Ti₄O₁₇ cluster stabilized by two 1,1'-ferrocenedicarboxylato ligands. Angewandte Chemie (International Ed. in English). 53: 9193-7. PMID 24990809 DOI: 10.1002/Anie.201402603 |
0.685 |
|
| 2014 |
Liu Z, Schneebeli ST, Stoddart JF. Second-sphere coordination revisited. Chimia. 68: 315-20. PMID 24983807 DOI: 10.2533/Chimia.2014.315 |
0.561 |
|
| 2014 |
Avestro AJ, Gardner DM, Vermeulen NA, Wilson EA, Schneebeli ST, Whalley AC, Belowich ME, Carmieli R, Wasielewski MR, Stoddart JF. Gated electron sharing within dynamic naphthalene diimide-based oligorotaxanes. Angewandte Chemie (International Ed. in English). 53: 4442-9. PMID 24623608 DOI: 10.1002/Anie.201309680 |
0.777 |
|
| 2014 |
Miller RW, Duncan AK, Schneebeli ST, Gray DL, Whalley AC. Synthesis and structural data of tetrabenzo[8]circulene. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 3705-11. PMID 24615957 DOI: 10.1002/Chem.201304657 |
0.72 |
|
| 2014 |
Bruns CJ, Frasconi M, Iehl J, Hartlieb KJ, Schneebeli ST, Cheng C, Stupp SI, Stoddart JF. Redox switchable daisy chain rotaxanes driven by radical-radical interactions. Journal of the American Chemical Society. 136: 4714-23. PMID 24512623 DOI: 10.1021/Ja500675Y |
0.7 |
|
| 2014 |
Bruns CJ, Li J, Frasconi M, Schneebeli ST, Iehl J, Jacquot de Rouville HP, Stupp SI, Voth GA, Stoddart JF. An electrochemically and thermally switchable donor-acceptor [c2]daisy chain rotaxane. Angewandte Chemie (International Ed. in English). 53: 1953-8. PMID 24505012 DOI: 10.1002/Anie.201308498 |
0.771 |
|
| 2014 |
Forgan RS, Blackburn AK, Boyle MM, Schneebeli ST, Fraser Stoddart J. The topological and chemical implications of introducing oriented rings to [3]catenanes Supramolecular Chemistry. 26: 192-201. DOI: 10.1080/10610278.2013.844812 |
0.661 |
|
| 2014 |
Hartlieb KJ, Blackburn AK, Schneebeli ST, Forgan RS, Sarjeant AA, Stern CL, Cao D, Stoddart JF. Topological isomerism in a chiral handcuff catenane Chemical Science. 5: 90-100. DOI: 10.1039/C3Sc52106K |
0.655 |
|
| 2014 |
McGonigal PR, Li H, Cheng C, Schneebeli ST, Frasconi M, Witus LS, Stoddart JF. Controlling association kinetics in the formation of donor-acceptor pseudorotaxanes Tetrahedron Letters. DOI: 10.1016/J.Tetlet.2015.01.169 |
0.759 |
|
| 2013 |
Schneebeli ST, Frasconi M, Liu Z, Wu Y, Gardner DM, Strutt NL, Cheng C, Carmieli R, Wasielewski MR, Stoddart JF. Electron sharing and anion-π recognition in molecular triangular prisms. Angewandte Chemie (International Ed. in English). 52: 13100-4. PMID 24227594 DOI: 10.1002/Anie.201307984 |
0.794 |
|
| 2013 |
Schneebeli ST, Cheng C, Hartlieb KJ, Strutt NL, Sarjeant AA, Stern CL, Stoddart JF. Asararenes--a family of large aromatic macrocycles. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 3860-8. PMID 23417890 DOI: 10.1002/Chem.201204097 |
0.773 |
|
| 2013 |
Strutt NL, Schneebeli ST, Stoddart JF. Stereochemical inversion in difunctionalised pillar[5]arenes Supramolecular Chemistry. 25: 596-608. DOI: 10.1080/10610278.2013.822973 |
0.751 |
|
| 2013 |
Schneebeli ST, Cheng C, Hartlieb KJ, Strutt NL, Sarjeant AA, Stern CL, Stoddart JF. Cover Picture: Asararenes-A Family of Large Aromatic Macrocycles (Chem. Eur. J. 12/2013) Chemistry - a European Journal. 19: 3777-3777. DOI: 10.1002/Chem.201390037 |
0.743 |
|
| 2013 |
Schneebeli ST, Frasconi M, Liu Z, Wu Y, Gardner DM, Strutt NL, Cheng C, Carmieli R, Wasielewski MR, Stoddart JF. Back Cover: Electron Sharing and Anion-π Recognition in Molecular Triangular Prisms (Angew. Chem. Int. Ed. 49/2013) Angewandte Chemie International Edition. 52: 13106-13106. DOI: 10.1002/Anie.201309249 |
0.784 |
|
| 2013 |
Schneebeli ST, Frasconi M, Liu Z, Wu Y, Gardner DM, Strutt NL, Cheng C, Carmieli R, Wasielewski MR, Stoddart JF. Rücktitelbild: Electron Sharing and Anion-π Recognition in Molecular Triangular Prisms (Angew. Chem. 49/2013) Angewandte Chemie. 125: 13344-13344. DOI: 10.1002/Ange.201309249 |
0.785 |
|
| 2012 |
Basuray AN, Jacquot de Rouville HP, Hartlieb KJ, Kikuchi T, Strutt NL, Bruns CJ, Ambrogio MW, Avestro AJ, Schneebeli ST, Fahrenbach AC, Stoddart JF. The chameleonic nature of diazaperopyrenium recognition processes. Angewandte Chemie (International Ed. in English). 51: 11872-7. PMID 23023995 DOI: 10.1002/Anie.201205089 |
0.706 |
|
| 2012 |
Vazquez H, Skouta R, Schneebeli S, Kamenetska M, Breslow R, Venkataraman L, Hybertsen MS. Probing the conductance superposition law in single-molecule circuits with parallel paths. Nature Nanotechnology. 7: 663-7. PMID 22941403 DOI: 10.1038/Nnano.2012.147 |
0.548 |
|
| 2012 |
Tagliazucchi M, Amin VA, Schneebeli ST, Stoddart JF, Weiss EA. High-contrast photopatterning of photoluminescence within quantum dot films through degradation of a charge-transfer quencher. Advanced Materials (Deerfield Beach, Fla.). 24: 3617-21. PMID 22678816 DOI: 10.1002/Adma.201201356 |
0.363 |
|
| 2012 |
Heckel JC, Weisman AL, Schneebeli ST, Hall ML, Sherry LJ, Stranahan SM, DuBay KH, Friesner RA, Willets KA. Polarized Raman spectroscopy of oligothiophene crystals to determine unit cell orientation. The Journal of Physical Chemistry. A. 116: 6804-16. PMID 22571336 DOI: 10.1021/Jp304192V |
0.766 |
|
| 2012 |
Tagliazucchi M, Amin VA, Schneebeli ST, Stoddart JF, Weiss EA. High-Contrast Photopatterning of Photoluminescence within Quantum Dot Films through Degradation of a Charge-Transfer Quencher (Adv. Mater. 27/2012) Advanced Materials. 24: 3616-3616. DOI: 10.1002/Adma.201290163 |
0.356 |
|
| 2011 |
Li J, Schneebeli ST, Bylund J, Farid R, Friesner RA. IDSite: An accurate approach to predict P450-mediated drug metabolism. Journal of Chemical Theory and Computation. 7: 3829-3845. PMID 22247702 DOI: 10.1021/Ct200462Q |
0.691 |
|
| 2011 |
Schneebeli ST, Bochevarov AD, Friesner RA. Parameterization of a B3LYP specific correction for non-covalent interactions and basis set superposition error on a gigantic dataset of CCSD(T) quality non-covalent interaction energies. Journal of Chemical Theory and Computation. 7: 658-668. PMID 22058661 DOI: 10.1021/Ct100651F |
0.495 |
|
| 2011 |
Chen W, Widawsky JR, Vázquez H, Schneebeli ST, Hybertsen MS, Breslow R, Venkataraman L. Highly conducting π-conjugated molecular junctions covalently bonded to gold electrodes. Journal of the American Chemical Society. 133: 17160-3. PMID 21939263 DOI: 10.1021/Ja208020J |
0.533 |
|
| 2011 |
Cheng ZL, Skouta R, Vazquez H, Widawsky JR, Schneebeli S, Chen W, Hybertsen MS, Breslow R, Venkataraman L. In situ formation of highly conducting covalent Au-C contacts for single-molecule junctions. Nature Nanotechnology. 6: 353-7. PMID 21552252 DOI: 10.1038/Nnano.2011.66 |
0.535 |
|
| 2011 |
Schneebeli ST, Kamenetska M, Cheng Z, Skouta R, Friesner RA, Venkataraman L, Breslow R. Single-molecule conductance through multiple π-π-stacked benzene rings determined with direct electrode-to-benzene ring connections. Journal of the American Chemical Society. 133: 2136-9. PMID 21265533 DOI: 10.1021/Ja111320N |
0.64 |
|
| 2011 |
Breslow R, Schneebeli ST. Structure-property relationships in molecular wires Tetrahedron. 67: 10171-10178. DOI: 10.1016/J.Tet.2011.08.008 |
0.489 |
|
| 2010 |
Schneebeli S, Kamenetska M, Foss F, Vazquez H, Skouta R, Hybertsen M, Venkataraman L, Breslow R. The electrical properties of biphenylenes. Organic Letters. 12: 4114-7. PMID 20722383 DOI: 10.1021/Ol1017036 |
0.731 |
|
| 2009 |
Schneebeli ST, Hall ML, Breslow R, Friesner R. Quantitative DFT modeling of the enantiomeric excess for dioxirane-catalyzed epoxidations. Journal of the American Chemical Society. 131: 3965-73. PMID 19243187 DOI: 10.1021/Ja806951R |
0.677 |
|
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