| The advent of generative chemistry Q Vanhaelen, YC Lin, A Zhavoronkov ACS Medicinal Chemistry Letters 11 (8), 1496-1505, 2020 | 91 | 2020 |
| Potential non-covalent SARS-CoV-2 3C-like protease inhibitors designed using generative deep learning approaches and reviewed by human medicinal chemist in virtual reality A Zhavoronkov, B Zagribelnyy, A Zhebrak, V Aladinskiy, V Terentiev, ... | 44 | 2020 |
| Multidimensional design of anticancer peptides YC Lin, YF Lim, E Russo, P Schneider, L Bolliger, A Edenharter, ... Angewandte Chemie International Edition 54 (35), 10370-10374, 2015 | 38 | 2015 |
| Rational Design of Membrane‐Pore‐Forming Peptides M Pillong, JA Hiss, P Schneider, YC Lin, G Posselt, B Pfeiffer, M Blatter, ... Small 13 (40), 1701316, 2017 | 32 | 2017 |
| Caffeic acid phenylethyl amide protects against the metabolic consequences in diabetes mellitus induced by diet and streptozocin YC Weng, ST Chuang, YC Lin, CF Chuang, TC Chi, HL Chiu, YH Kuo, ... Evidence-Based Complementary and Alternative Medicine 2012, 2012 | 27 | 2012 |
| Steering Target Selectivity and Potency by Fragment‐Based De Novo Drug Design T Rodrigues, T Kudoh, F Roudnicky, YF Lim, YC Lin, CP Koch, M Seno, ... Angewandte Chemie International Edition 52 (38), 10006-10009, 2013 | 24 | 2013 |
| Antihyperglycemic effect of a caffeamide derivative, KS370G, in normal and diabetic mice YC Weng, HL Chiu, YC Lin, TC Chi, YH Kuo, MJ Su Journal of Agricultural and Food Chemistry 58 (18), 10033-10038, 2010 | 23 | 2010 |
| Quantum computing for near-term applications in generative chemistry and drug discovery A Pyrkov, A Aliper, D Bezrukov, YC Lin, D Polykovskiy, P Kamya, F Ren, ... Drug Discovery Today, 103675, 2023 | 16 | 2023 |
| Exploring the advantages of quantum generative adversarial networks in generative chemistry PY Kao, YC Yang, WY Chiang, JY Hsiao, Y Cao, A Aliper, F Ren, ... Journal of Chemical Information and Modeling 63 (11), 3307-3318, 2023 | 15 | 2023 |
| Combating small-molecule aggregation with machine learning K Lee, A Yang, YC Lin, D Reker, GJL Bernardes, T Rodrigues Cell Reports Physical Science 2 (9), 2021 | 15 | 2021 |
| Toward drug-target interaction prediction via ensemble modeling and transfer learning PY Kao, SM Kao, NL Huang, YC Lin 2021 IEEE international conference on bioinformatics and biomedicine (BIBM …, 2021 | 13 | 2021 |
| Piloting the Membranolytic Activities of Peptides with a Self‐organizing Map YC Lin, JA Hiss, P Schneider, P Thelesklaf, YF Lim, M Pillong, FM Koehler, ... ChemBioChem 15 (15), 2225-2231, 2014 | 10 | 2014 |
| Repurposing de novo designed entities reveals phosphodiesterase 3B and cathepsin L modulators T Rodrigues, YC Lin, M Hartenfeller, S Renner, YF Lim, G Schneider Chemical communications 51 (35), 7478-7481, 2015 | 8 | 2015 |
| Engineering an autonomous VH domain to modulate intracellular pathways and to interrogate the eIF4F complex Y Frosi, YC Lin, J Shimin, SR Ramlan, K Hew, AH Engman, A Pillai, ... Nature communications 13 (1), 4854, 2022 | 6 | 2022 |
| Adaptive peptide design G Schneider, YC Lin, CP Koch, M Pillong, AM Perna, M Reutlinger, ... Chimia 67 (12), 859-859, 2013 | 4 | 2013 |
| Quantum simulation of preferred tautomeric state prediction Y Shee, TL Yeh, JY Hsiao, A Yang, YC Lin, MH Hsieh npj Quantum Information 9 (1), 102, 2023 | 2 | 2023 |
| Development of a novel peptide aptamer that interacts with the eIF4E capped-mRNA binding site using peptide epitope linker evolution (PELE) Y Frosi, S Ng, YC Lin, S Jiang, SR Ramlan, D Lama, CS Verma, I Asial, ... RSC Chemical Biology 3 (7), 916-930, 2022 | 1 | 2022 |
| Toward robust drug-target interaction prediction via ensemble modeling and transfer learning PY Kao, SM Kao, NL Huang, YC Lin arXiv preprint arXiv:2107.00719, 2021 | 1 | 2021 |
| COSMIC: Molecular Conformation Space Modeling in Internal Coordinates with an Adversarial Framework M Kuznetsov, F Ryabov, R Schutski, R Shayakhmetov, YC Lin, A Aliper, ... Journal of Chemical Information and Modeling, 2024 | | 2024 |
| Structure-based deep generative model for binding site descriptors extraction and de novo molecular generation Y Ya-Chu, TL Yeh, YC Lin US Patent App. 18/116,170, 2023 | | 2023 |
