| The effects of organic solvents on the folding pathway and associated thermodynamics of proteins: a microscopic view Y Yu, J Wang, Q Shao, J Shi, W Zhu Scientific Reports 6 (1), 19500, 2016 | 55 | 2016 |
| Effects of drug-resistant mutations on the dynamic properties of HIV-1 protease and inhibition by Amprenavir and Darunavir Y Yu, J Wang, Q Shao, J Shi, W Zhu Scientific reports 5 (1), 10517, 2015 | 50 | 2015 |
| Repositioning organohalogen drugs: A case study for identification of potent B-Raf V600E inhibitors via docking and bioassay Y Li, B Guo, Z Xu, B Li, T Cai, X Zhang, Y Yu, H Wang, J Shi, W Zhu Scientific reports 6 (1), 31074, 2016 | 31 | 2016 |
| Different structures of berberine and five other protoberberine alkaloids that affect P-glycoprotein-mediated efflux capacity Y Zhang, Y Yu, X Yan, W Wang, X Tian, L Wang, W Zhu, L Gong, G Pan Acta Pharmacologica Sinica 40 (1), 133-142, 2019 | 29 | 2019 |
| Structural insights into HIV-1 protease flap opening processes and key intermediates Y Yu, J Wang, Z Chen, G Wang, Q Shao, J Shi, W Zhu RSC advances 7 (71), 45121-45128, 2017 | 25 | 2017 |
| Improving the accuracy of predicting protein–ligand binding-free energy with semiempirical quantum chemistry charge C Peng, J Wang, Y Yu, G Wang, Z Chen, Z Xu, T Cai, Q Shao, J Shi, ... Future Medicinal Chemistry 11 (4), 303-321, 2019 | 21 | 2019 |
| How do distance and solvent affect halogen bonding involving negatively charged donors? Z Chen, G Wang, Z Xu, J Wang, Y Yu, T Cai, Q Shao, J Shi, W Zhu The Journal of Physical Chemistry B 120 (34), 8784-8793, 2016 | 20 | 2016 |
| Thioester-mediated biocatalytic amide bond synthesis with in situ thiol recycling C Schnepel, LR Pérez, Y Yu, A Angelastro, RS Heath, M Lubberink, ... Nature Catalysis 6 (1), 89-99, 2023 | 13 | 2023 |
| Mechanism of action of flavin-dependent halogenases RD Barker, Y Yu, L De Maria, LO Johannissen, NS Scrutton ACS catalysis 12 (24), 15352-15360, 2022 | 8 | 2022 |
| RetroBioCat Database: A Platform for Collaborative Curation and Automated Meta-Analysis of Biocatalysis Data W Finnigan, M Lubberink, LJ Hepworth, J Citoler, AP Mattey, GJ Ford, ... ACS catalysis 13 (17), 11771-11780, 2023 | 7 | 2023 |
| Increasing the sampling efficiency of protein conformational transition using velocity-scaling optimized hybrid explicit/implicit solvent REMD simulation Y Yu, J Wang, Q Shao, J Shi, W Zhu The Journal of Chemical Physics 142 (12), 2015 | 4 | 2015 |
| Structure-Based Design of Small Imine Reductase Panels for Target Substrates Y Yu, A Rué Casamajo, W Finnigan, C Schnepel, R Barker, C Morrill, ... ACS catalysis 13 (18), 12310-12321, 2023 | 3 | 2023 |
| Biocatalysis in Drug Design: Engineered Reductive Aminases (RedAms) Are Used to Access Chiral Building Blocks with Multiple Stereocenters AR Casamajo, Y Yu, C Schnepel, C Morrill, R Barker, CW Levy, ... Journal of the American Chemical Society 145 (40), 22041-22046, 2023 | 1 | 2023 |
| Structure-based design of biocatalytic panels for pharmaceuticals synthesis Y Yu, AR Casamajo, W Finnigan, C Schnepel, R Barker, C Morrill, ... | 1 | 2022 |
| Conformational Dynamics, Intramolecular Domain Conformation Signaling, and Activation of Apo-FimD Revealed by Single-Molecule Fluorescence Resonance Energy Transfer Studies Y Liu, C Sun, L Han, Y Yu, H Zhou, Q Shao, J Lou, Y Zhao, Y Huang Biochemistry 58 (14), 1931-1941, 2019 | 1 | 2019 |
| Photocobilins integrate B12 and bilin photochemistry for enzyme control S Zhang, LN Jeffreys, H Poddar, Y Yu, C Liu, K Patel, LO Johannissen, ... Nature Communications 15 (1), 2740, 2024 | | 2024 |
| Photocobilins integrate B12 and bilin photochemistry for enzyme control N Scrutton, S Zhang, H Poddar, Y Yu, C Liu, K Patel, L Jeffreys, L Zhu, ... | | 2023 |
| Unlocking biocatalytic acylations by enzyme repurposing and engineering for amide synthesis C Schnepel, L Rodríguez-Pérez, Y Yu, MA Hayes, NJ Turner, SL Flitsch | | 2023 |
| Substrate Transport is Mediated not only by P-glycoprotein but also by Lipid Penetration Y Yu, J Wang, Z Chen, G Wang, Z Xu, Q Shao, J Shi, W Zhu bioRxiv, 713503, 2019 | | 2019 |
