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 |
0.609 |
|
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 |
0.586 |
|
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 |
0.609 |
|
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 |
0.601 |
|
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 |
0.619 |
|
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 |
0.63 |
|
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 |
0.592 |
|
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 |
0.593 |
|
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 |
0.596 |
|
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 |
0.59 |
|
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 |
0.602 |
|
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 |
0.628 |
|
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 |
0.598 |
|
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 |
0.556 |
|
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 |
0.592 |
|
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 |
0.615 |
|
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 |
0.62 |
|
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 |
0.639 |
|
2019 |
Liao C, May V, Li J. Assessment of Conformational State Transitions of Class B GPCRs Using Molecular Dynamics. Methods in Molecular Biology (Clifton, N.J.). 1947: 3-19. PMID 30969408 DOI: 10.1007/978-1-4939-9121-1_1 |
0.335 |
|
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 |
0.644 |
|
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 |
0.619 |
|
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 |
0.62 |
|
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 |
0.644 |
|
2018 |
Heppner DE, Dustin CM, Liao C, Hristova M, Veith C, Little AC, Ahlers BA, White SL, Deng B, Lam YW, Li J, van der Vliet A. Direct cysteine sulfenylation drives activation of the Src kinase. Nature Communications. 9: 4522. PMID 30375386 DOI: 10.1038/S41467-018-06790-1 |
0.307 |
|
2018 |
Liao C, May V, Li J. PAC1 Receptors: Shapeshifters in Motion. Journal of Molecular Neuroscience : Mn. PMID 30074173 DOI: 10.1007/S12031-018-1132-0 |
0.312 |
|
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 |
0.618 |
|
2017 |
Liao C, Zhao X, Brewer M, May V, Li J. Conformational Transitions of the Pituitary Adenylate Cyclase-Activating Polypeptide Receptor, a Human Class B GPCR. Scientific Reports. 7: 5427. PMID 28710390 DOI: 10.1038/S41598-017-05815-X |
0.318 |
|
2017 |
Shelley MY, Selvan ME, Zhao J, Babin V, Liao C, Li J, Shelley JC. A new mixed all-atom/coarse-grained model: application to melittin aggregation in aqueous solution. Journal of Chemical Theory and Computation. PMID 28636825 DOI: 10.1021/Acs.Jctc.7B00071 |
0.325 |
|
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 |
0.631 |
|
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 |
0.626 |
|
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 |
0.638 |
|
2017 |
Madsen JJ, Sinitskiy AV, Li J, Voth GA. Highly Coarse-grained Representations of Transmembrane Proteins. Journal of Chemical Theory and Computation. PMID 28043122 DOI: 10.1021/Acs.Jctc.6B01076 |
0.315 |
|
2017 |
Shelley JC, Shelley M, Esai Selvan M, Zhao J, Babin V, Liao C, Li J. Studying Peptide Aggregation using Mixed All-Atom/Coarse Grain Molecular Dynamics Simulations Biophysical Journal. 112: 198a. DOI: 10.1016/J.Bpj.2016.11.1096 |
0.323 |
|
2016 |
Liao C, Zhang Z, Kale J, Andrews DW, Lin J, Li J. Conformational Heterogeneity of Bax Helix 9 Dimer for Apoptotic Pore Formation. Scientific Reports. 6: 29502. PMID 27381287 DOI: 10.1038/Srep29502 |
0.318 |
|
2016 |
Tian W, Zeng C, An Y, Wang C, Liu Y, Li J. Accuracy and postoperative assessment of pedicle screw placement during scoliosis surgery with computer-assisted navigation: a meta-analysis. The International Journal of Medical Robotics + Computer Assisted Surgery : Mrcas. PMID 26957362 DOI: 10.1002/rcs.1732 |
0.384 |
|
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 |
0.656 |
|
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 |
0.648 |
|
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 |
0.633 |
|
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 |
0.637 |
|
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 |
0.637 |
|
2014 |
Li J, Ziemba BP, Falke JJ, Voth GA. Interactions of protein kinase C-α C1A and C1B domains with membranes: a combined computational and experimental study. Journal of the American Chemical Society. 136: 11757-66. PMID 25075641 DOI: 10.1021/Ja505369R |
0.334 |
|
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 |
0.632 |
|
2014 |
Li J, Jonsson A, Jakobtorweihen S, Shelley MY, Voth GA, Farid R, Shelley JC. Development of an All-Atom/Coarse Grain, Mixed Resolution Model for Proteins and their Environment Biophysical Journal. 106: 608a. DOI: 10.1016/J.Bpj.2013.11.3362 |
0.342 |
|
2013 |
Li J, Jonsson AL, Beuming T, Shelley JC, Voth GA. Ligand-dependent activation and deactivation of the human adenosine A(2A) receptor. Journal of the American Chemical Society. 135: 8749-59. PMID 23678995 DOI: 10.1021/Ja404391Q |
0.341 |
|
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 |
0.73 |
|
2011 |
Zhao S, Zhu K, Li J, Friesner RA. Progress in super long loop prediction. Proteins. 79: 2920-35. PMID 21905115 DOI: 10.1002/Prot.23129 |
0.589 |
|
2011 |
Li J, Abel R, Zhu K, Cao Y, Zhao S, Friesner RA. The VSGB 2.0 model: a next generation energy model for high resolution protein structure modeling. Proteins. 79: 2794-812. PMID 21905107 DOI: 10.1002/Prot.23106 |
0.684 |
|
2011 |
Bochevarov AD, Li J, Song WJ, Friesner RA, Lippard SJ. Insights into the different dioxygen activation pathways of methane and toluene monooxygenase hydroxylases. Journal of the American Chemical Society. 133: 7384-97. PMID 21517016 DOI: 10.1021/Ja110287Y |
0.494 |
|
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