METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes EV Moroz‐Omori, D Huang, R Kumar Bedi, SJ Cheriyamkunnel, ... ChemMedChem, 1-10, 2021 | 115 | 2021 |
Dynamic 3D proteomes reveal protein functional alterations at high resolution in situ V Cappelletti, T Hauser, I Piazza, M Pepelnjak, L Malinovska, T Fuhrer, ... Cell 184 (2), 545-559. e22, 2021 | 110 | 2021 |
Accuracy assessment of protein-based docking programs against RNA targets Y Li, J Shen, X Sun, W Li, G Liu, Y Tang Journal of chemical information and modeling 50 (6), 1134-1146, 2010 | 73 | 2010 |
Structural and Dynamic Insights into Redundant Function of YTHDF Proteins Y Li, RK Bedi, EV Moroz-Omori, A Caflisch Journal of Chemical Information and Modeling 60 (12), 5932–5935, 2020 | 50 | 2020 |
Discovery of inhibitors to block interactions of HIV-1 integrase with human LEDGF/p75 via structure-based virtual screening and bioassays G Hu, X Li, X Zhang, Y Li, L Ma, LM Yang, G Liu, W Li, J Huang, X Shen, ... Journal of Medicinal Chemistry 55 (22), 10108-10117, 2012 | 48 | 2012 |
The six metal binding domains in human copper transporter, ATP7B: molecular biophysics and disease-causing mutations C Ariöz, Y Li, P Wittung-Stafshede Biometals 30 (6), 823-840, 2017 | 44 | 2017 |
Conformational plasticity of the 2A proteinase from enterovirus 71 Q Cai, M Yameen, W Liu, Z Gao, Y Li, X Peng, Y Cai, C Wu, Q Zheng, J Li, ... Journal of virology 87 (13), 7348-7356, 2013 | 44 | 2013 |
Synthesis and biological evaluation of quinazoline and quinoline bearing 2, 2, 6, 6-tetramethylpiperidine-N-oxyl as potential epidermal growth factor receptor (EGFR) tyrosine … S Li, C Guo, X Sun, Y Li, H Zhao, D Zhan, M Lan, Y Tang European journal of medicinal chemistry 49, 271-278, 2012 | 34 | 2012 |
Role of Protein Dynamics in Allosteric Control of the Catalytic Phosphoryl Transfer of Insulin Receptor Kinase OM Pedro, L Yaozong, O Victor, N Kwangho Journal of the American Chemical Society 137 (39), 12454–12457, 2015 | 30 | 2015 |
Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m6A) Recognition by the Reader Domain of YTHDC1 Y Li, RK Bedi, L Wiedmer, X Sun, D Huang, A Caflisch Journal of Chemical Theory and Computation, 2021 | 24 | 2021 |
Selectively Disrupting m6A-Dependent Protein–RNA Interactions with Fragments RK Bedi, D Huang, L Wiedmer, Y Li, A Dolbois, JA Wojdyla, ME Sharpe, ... ACS chemical biology 15 (3), 618-625, 2020 | 24 | 2020 |
Structure-based ensemble-QSAR model: a novel approach to the study of the EGFR tyrosine kinase and its inhibitors X Sun, L Chen, Y Li, W Li, G Liu, Y Tu, Y Tang Acta Pharmacologica Sinica 35 (2), 301-310, 2014 | 22 | 2014 |
Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif Y Li, RK Bedi, L Wiedmer, D Huang, P Śledź, A Caflisch Journal of chemical theory and computation 15 (12), 7004-7014, 2019 | 21 | 2019 |
Identification and Molecular Interaction Studies of Thyroid Hormone Receptor Disruptors among Household Dust Contaminants J Zhang, Y Li, AA Gupta, K Nam, PL Andersson Chem. Res. Toxicol. 29 (8), 1345–1354, 2016 | 21 | 2016 |
Computational investigation of interactions between human H2 receptor and its agonists X Sun, Y Li, W Li, Z Xu, Y Tang Journal of Molecular Graphics and Modelling 29 (5), 693-701, 2011 | 20 | 2011 |
Dynamic, structural and thermodynamic basis of insulin-like growth factor 1 kinase allostery mediated by activation loop phosphorylation Y Li, K Nam Chemical Science 8 (5), 3453-3464, 2017 | 17 | 2017 |
Fragment Ligands of the m6A-RNA Reader YTHDF2 F Nai, R Nachawati, F Zalesak, X Wang, Y Li, A Caflisch ACS Medicinal Chemistry Letters 13 (9), 1500-1509, 2022 | 15 | 2022 |
Repulsive soft-core potentials for efficient alchemical free energy calculations Y Li, K Nam Journal of chemical theory and computation 16 (8), 4776-4789, 2020 | 13 | 2020 |
Disease-causing point-mutations in metal-binding domains of Wilson disease protein decrease stability and increase structural dynamics R Kumar, C Ariöz, Y Li, N Bosaeus, S Rocha, P Wittung-Stafshede Biometals 30, 27-35, 2017 | 13 | 2017 |
Structure-based design of ligands of the m6A-RNA reader YTHDC1 Y Li, RK Bedi, F Nai, V von Roten, A Dolbois, F Zálešák, R Nachawati, ... European Journal of Medicinal Chemistry Reports 5, 100057, 2022 | 11 | 2022 |