Experience
Senior Scientist, Computational Chemistry, 2022-present
Merck.
Education
Ph.D. in Computational Chemistry, 2019-2022
University of Pittsburgh.
M.Sc. in Chemistry, 2016-2019
University of Pennsylvania.
B.Sc. in Chemistry, 2012-2016
Nankai University.
Research
AI/ML; MD; DFT; Computer Aided Drug Discovery; Computational Chemistry; Computational Biology; AIMD
Publications at Merck
2024:
- Homogenous Palladium-Catalyzed Dehalogenative Deuteration and Tritiation of Aryl Halides with D2/T2 Gas.
Li, J.; Lin, Q.; Dungan, O.; Fu, Y.; Ren, S.; Ruccolo, S.; Moor, S.; Phillips, E. M.
J. Am. Chem. Soc. | paper | DOI:10.1021/jacs.4c08176
Publications during phD
2024:
- A Metalloenzyme Platform for Catalytic Asymmetric Radical Dearomatization.
Fu, W.; Fu, Y.; Zhao, Y.; Wang, H.; Liu, P.; Yang, Y.
Nat. Catal. | paper | DOI:10.1038/s41557-024-01608-8
- Ni-Catalysed Dicarbofunctionalization for the Synthesis of Sequence-Encoded Cyclooctene Monomers.
Tran, V. T.; Ravn, A. K.; Rubel, C. Z.; Xu, M.; Fu, Y.; Wagner, E. M.; Wisniewski, S. R.; Liu, P.; Gutekunst, W. R.; Engle, K. M.
Nat. Synth. | paper | DOI:10.1038/s44160-024-00618-1
- Chemo- and Enantioselective Intramolecular Silver-Catalyzed Aziridinations of Carbamimidates.
Trinh, T. A.; Fu, Y.; Hu, D. B.; Zappia, S. A.; Guzei, I. A.; Liu, P.; Schomaker, J. M.
Chem. Commun. | paper | DOI:10.1039/D3CC05670H
2023:
- Ortho-C–H methoxylation of aryl halides enabled by a polarity-reversed N–O reagent.
Liu, X.; Fu, Y.; Chen, Z.; Liu, P.; Dong, G.
Nat. Chem. | paper | DOI:10.1038/s41557-023-01312-z
- Enzyme-Controlled Stereoselective Radical Cyclization to Arenes Enabled by Metalloredox Biocatalysis.
Fu, W.; Neris, N. M.; Fu, Y.; Zhao, Y.; Krohn-Hansen, B.; Liu, P.; Yang, Y.
Nat. Catal. | paper | DOI:10.1038/s41929-023-00986-5
- Escape from Palladium: Nickel-Catalyzed Catellani Annulation.
Huo, J.; Fu, Y.; Tang, M. J.; Liu, P.; Dong, G.
J. Am. Chem. Soc.| paper | DOI:10.1021/jacs.3c03780
2022:
- Engineered P450 Atom Transfer Radical Cyclases Are Bifunctional Biocatalysts: Reaction Mechanism and Origin of Enantioselectivity.
Fu, Y.; Chen, H.; Fu, W.; Garcia-Borràs, M.; Yang, Y.; Liu, P.
J. Am. Chem. Soc.| paper | DOI:10.1021/jacs.2c04937
- Origins of Catalyst-Controlled Selectivity in the Ag-Catalyzed Regiodivergent C−H Amination
Fu, Y.; Zerull, E.; Schomaker, J.; Liu, P.
J. Am. Chem. Soc.| paper | DOI:10.1021/jacs.1c12111
- Synthesis and Characterization of Post-β-Carbon-Elimination Organopalladium Complexes.
Kang, T.;Fu, Y.; Li-Matsuura, R.; Liu, A. L.; Jankins, T. C.; Rheingold, A. L.; Bailey, J. B.; Gembicky, M.; Liu, P.; Engle, K. M.
Organometallics| paper | DOI:10.1021/acs.organomet.2c00530
- Diastereo- and Enantioselective Synthesis of Compounds with a Trifluoromethyl- and Fluoro-Substituted Carbon Centre.
Xu, S.; del Pozo, J.; Romiti, F.; Fu, Y.; Mai, B. K.; Morrison, R. J.; Lee, K.; Hu, S.; Koh, M. J.; Lee, J.; Li, X.; Liu, P.; Hoveyda, A. H.
Nat. Chem. | paper | DOI:10.1038/s41557-022-01054-4
- Mechanistic Basis for the Iridium-Catalyzed Enantioselective Allylation of Alkenyl Boronates.
Davis, C. R.; Fu, Y.; Liu, P.; Ready, J. M.
J. Am. Chem. Soc.| paper | DOI:10.1021/jacs.2c06493
2021:
- Ab Initio Molecular Dynamics Simulations of the SN1/SN2 Mechanistic Continuum in Glycosylation Reactions.
Fu, Y.; Bernasconi, L.; Liu, P.
J. Am. Chem. Soc.| paper | DOI:10.1021/jacs.1c05255
- Unnatural Metalloredox Biocatalysis Enables Enantio- and Diastereocontrolled Atom Transfer Radical Cyclization.
Zhou, Q.; Chin, M.†; Fu, Y.†; Liu, P.; Yang, Y.
Science| paper | DOI: 10.1126/science.abk1603
- Monovalent Nickel-Mediated Radical Formation: A Concerted Halogen-Atom Dissociation Pathway Determined by Electroanalytical Studies.
Lin, Q.; Fu, Y.; Liu, P.; Diao, T.
J. Am. Chem. Soc.| paper | DOI:10.1021/jacs.1c05255
- Zirconium-Redox-Shuttled Cross-Electrophile Coupling of Aromatic and Heteroaromatic Halides.
Wu, T.-F.†; Zhang, Y.-J.†;Fu, Y.†; Liu, F.-J.; Tang, J.-T.; Liu, P.; Toste, F. D.; Ye, B.
Chem| paper | DOI:10.1016/j.chempr.2021.06.007
- A “Traceless” Directing Group Enables Catalytic SN2 Glycosylation toward 1,2-Cis-Glycopyranosides.
Ma, X.; Zheng, Z.; Fu, Y.; Zhu, X.; Liu, P.; Zhang, L.
J. Am. Chem. Soc.| paper | DOI:10.1021/jacs.1c04584
- Organophosphorus-Catalyzed Relay Oxidation of H-Bpin: Electrophilic C–H Borylation of Heteroarenes.
Lipshultz, J. M.; Fu, Y.; Liu, P.; Radosevich, A. T.
Chem. Sci.| paper | DOI:10.1039/D0SC05620K
2020:
- Ligand-Controlled Regiodivergence in Nickel-Catalyzed Hydroarylation and Hydroalkenylation of Alkenyl Carboxylic Acids.
Li, Z.-Q.; Fu, Y.; Deng, R.; Tran, V. T.; Gao, Y.; Liu, P.; Engle, K. M.
Angew. Chem. Int. Ed. | paper | DOI:10.1002/anie.202010840
- Difluorocarbene-Triggered Cyclization: Synthesis of (Hetero)arene-Fused 2,2-Difluoro-2,3-dihydrothiophenes.
Liang, H.; Liu, R.; Zhou, M.; Fu, Y.; Ni, C.; Hu, J.
Org. Lett. | paper | DOI:10.1021/acs.orglett.0c02688
- Total Synthesis of C-α-Mannosyl Tryptophan via Palladium-catalyzed C–H Glycosylation.
Wang, Q.; Fu, Y.; Zhu, W.; An, S.; Zhou, Q.; Zhu, S.-F.; He, G.; Liu, P.; Chen, G.
CCS Chem. | paper | DOI:10.31635/ccschem.020.202000380
- Regioselective, Photocatalytic α-Functionalization of Amines.
Leng, L.; Fu, Y.; Liu, P.; Ready, J. M.
J. Am. Chem. Soc. | paper | DOI:10.1021/jacs.0c03758
2019:
- Kinetic Resolution via Rh-Catalyzed C–C Activation of Cyclobutanones at Room Temperature.
Deng, L.; Fu, Y.; Lee, S. Y.; Wang, C.; Liu, P.; Dong, G.
J. Am. Chem. Soc. | paper | DOI:10.1021/jacs.9b09344
2018:
- Cation−π Interactions in the Benzylic Arylation of Toluenes with Bimetallic Catalysts.
Sha, S.-C.; Tcyrulnikov, S.; Li, M.; Hu, B.; Fu, Y.; Kozlowski, M. C.; Walsh, P. J.
J. Am. Chem. Soc. | paper | DOI:10.1021/jacs.8b05143
2017:
- Arylation of Azaarylmethylamines with Aryl Chlorides and a NiBr2/NIXANTPHOS-based Catalyst.
Gao, G.; Fu, Y.; Li, M.; Wang, B.; Zheng, B.; Hou, S.; Walsh, P. J.
Adv. Synth. Catal. | paper | DOI:10.1002/adsc.201700438
- Palladium-Catalyzed Chemoselective α-Arylation of Methyl Sulfones with Aryl Chlorides.
Gao, G.; Zheng, B.; Fu, Y.; Li, M.; Wang, B.; Chen, X.-Z.; Zhang, Y.-Y.; Liu, J.-J.; Hou, S.-C.; Walsh, P. J.
Asian J. Org. Chem. | paper | DOI:10.1002/ajoc.201700075
2016:
- Umpolung Synthesis of Diarylmethylamines via Palladium-Catalyzed Arylation of N-Benzyl Aldimines.
Li, M.; Yucel, B.; Jiménez, J.; Rotella, M.; Fu, Y.; Walsh, P. J.
Adv. Synth. Catal. | paper | DOI:10.1002/adsc.201600075
- Enantioselective iridium-catalyzed hydrogenation of β,β-disubstituted nitroalkenes.
Yu, Y.-B.; Cheng, L.; Li, Y.-P.; Fu, Y.; Zhu, S.-F.; Zhou, Q.-L.
Chem. Commun. | paper | DOI:10.1039/C6CC01273F
Awards
2021, Andrew W. Mellon Predoctoral Fellowship
2020, Mary E. Warga Predoctoral Fellowship