| Deep learning for drug design: an artificial intelligence paradigm for drug discovery in the big data era Y Jing, Y Bian, Z Hu, L Wang, XQS Xie The AAPS journal 20, 1-10, 2018 | 362 | 2018 |
| Generative chemistry: drug discovery with deep learning generative models Y Bian, XQ Xie Journal of Molecular Modeling 27, 1-18, 2021 | 99 | 2021 |
| Computational fragment-based drug design: current trends, strategies, and applications Y Bian, XQ Xie The AAPS journal 20, 1-11, 2018 | 86 | 2018 |
| Deep convolutional generative adversarial network (dcGAN) models for screening and design of small molecules targeting cannabinoid receptors Y Bian, J Wang, JJ Jun, XQ Xie Molecular pharmaceutics 16 (11), 4451-4460, 2019 | 59 | 2019 |
| Computational systems pharmacology analysis of cannabidiol: a combination of chemogenomics-knowledgebase network analysis and integrated in silico modeling and simulation Y Bian, X He, Y Jing, L Wang, J Wang, XQ Xie Acta Pharmacologica Sinica 40 (3), 374-386, 2019 | 47 | 2019 |
| Structure–function analysis of the SHOC2–MRAS–PP1C holophosphatase complex JJ Kwon, B Hajian, Y Bian, LC Young, AJ Amor, JR Fuller, CV Fraley, ... Nature 609 (7926), 408-415, 2022 | 36 | 2022 |
| Prediction of orthosteric and allosteric regulations on cannabinoid receptors using supervised machine learning classifiers Y Bian, Y Jing, L Wang, S Ma, JJ Jun, XQ Xie Molecular pharmaceutics 16 (6), 2605-2615, 2019 | 35 | 2019 |
| Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5 Y Bian, Z Feng, P Yang, XQ Xie The AAPS journal 19, 1235-1248, 2017 | 29 | 2017 |
| Covalent allosteric modulation: An emerging strategy for GPCRs drug discovery Y Bian, JJ Jun, J Cuyler, XQ Xie European journal of medicinal chemistry 206, 112690, 2020 | 20 | 2020 |
| Integrated multi-class classification and prediction of GPCR allosteric modulators by machine learning intelligence T Hou, Y Bian, T McGuire, XQ Xie Biomolecules 11 (6), 870, 2021 | 19 | 2021 |
| Artificial intelligent deep learning molecular generative modeling of scaffold-focused and cannabinoid CB2 target-specific small-molecule sublibraries Y Bian, XQ Xie Cells 11 (5), 915, 2022 | 12 | 2022 |
| Effects of α-mangostin derivatives on the Alzheimer’s disease model of rats and their mechanism: A combination of experimental study and computational systems pharmacology analysis Y Chen, Y Bian, JW Wang, TT Gong, YM Ying, LF Ma, WG Shan, XQ Xie, ... ACS omega 5 (17), 9846-9863, 2020 | 12 | 2020 |
| Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation H Ge, Y Bian, X He, XQ Xie, J Wang Journal of computer-aided molecular design 33, 447-459, 2019 | 8 | 2019 |
| Target-driven machine learning-enabled virtual screening (TAME-VS) platform for early-stage hit identification Y Bian, JJ Kwon, C Liu, E Margiotta, M Shekhar, AE Gould Frontiers in Molecular Biosciences 10, 1163536, 2023 | 2 | 2023 |
| Synthesis and biological activities of sulfinyl acetamide derivatives for narcolepsy treatment X Zhu, J Zhou, Y Zhu, X Hu, Y Bian, X Hu, Z Tao, C Gao, W Huang Letters in Drug Design & Discovery 10 (3), 266-270, 2013 | 2 | 2013 |
| The Research and Development of an Artificial Intelligence Integrated Fragment-Based Drug Design Platform for Small Molecule Drug Discovery Y Bian University of Pittsburgh, 2021 | 1 | 2021 |
| Artificial Intelligence Generative Chemistry Design of Target-Specific Scaffold-Focused Small Molecule Drug Libraries Y Bian, G Hou, XQ Xie The Quintessence of Basic and Clinical Research and Scientific Publishing …, 2023 | | 2023 |
| Abstract B037: Hit-finding by Cysteine-Scanning (HCS): A method for finding druggable pockets LM van Tienen, S Bayoumi, K Muneeruddin, N Leymarie, D Kornfilt, ... Molecular Cancer Research 21 (5_Supplement), B037-B037, 2023 | | 2023 |
| Abstract LB029: Comprehensive structure-function evaluation of the SHOC2 holophosphatase reveals disease mechanisms and therapeutic opportunities J Kwon, B Hajian, Y Bian, A Amor, J Fuller, C Fraley, L Baker, J So, ... Cancer Research 82 (12_Supplement), LB029-LB029, 2022 | | 2022 |
| Computational Fragment-based Discovery of Allosteric Modulators on Metabotropic Glutamate Receptor 5 Y Bian University of Pittsburgh, 2017 | | 2017 |
