Sledovat
Binh Khanh Mai
Binh Khanh Mai
University of Illinois Urbana-Champaign
E-mailová adresa ověřena na: pitt.edu - Domovská stránka
Název
Citace
Citace
Rok
Steered molecular dynamics-a promising tool for drug design
M Suan Li, B Khanh Mai
Current Bioinformatics 7 (4), 342-351, 2012
992012
Top leads for swine influenza A/H1N1 virus revealed by steered molecular dynamics approach
BK Mai, MH Viet, MS Li
Journal of chemical information and modeling 50 (12), 2236-2247, 2010
862010
Determination of spin inversion probability, H-tunneling correction, and regioselectivity in the two-state reactivity of nonheme iron (IV)-oxo complexes
YH Kwon, BK Mai, YM Lee, SN Dhuri, D Mandal, KB Cho, Y Kim, S Shaik, ...
The Journal of Physical Chemistry Letters 6 (8), 1472-1476, 2015
792015
Neuraminidase inhibitor R-125489–a promising drug for treating influenza virus: steered molecular dynamics approach
BK Mai, MS Li
Biochemical and biophysical research communications 410 (3), 688-691, 2011
712011
Stereoselective amino acid synthesis by synergistic photoredox-pyridoxal radical biocatalysis
L Cheng, D Li, BK Mai, Z Bo, L Cheng, P Liu, Y Yang
Science 381 (6656), 444-451, 2023
702023
Generation of axially chiral fluoroallenes through a copper-catalyzed enantioselective β-fluoride elimination
TJ O’Connor, BK Mai, J Nafie, P Liu, FD Toste
Journal of the American Chemical Society 143 (34), 13759-13768, 2021
552021
Study of Tamiflu sensitivity to variants of A/H5N1 virus using different force fields
TT Nguyen, BK Mai, MS Li
Journal of chemical information and modeling 51 (9), 2266-2276, 2011
452011
Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study
SW Kim, CC Meyer, BK Mai, P Liu, MJ Krische
ACS catalysis 9 (10), 9158-9163, 2019
442019
Mechanisms of Rh-catalyzed oxyfluorination and oxytrifluoromethylation of diazocarbonyl compounds with hypervalent fluoroiodine
BK Mai, KJ Szabo, F Himo
ACS Catalysis 8 (5), 4483-4492, 2018
432018
Improving ligand‐ranking of AutoDock Vina by changing the empirical parameters
TNH Pham, TH Nguyen, NM Tam, T Y. Vu, NT Pham, NT Huy, BK Mai, ...
Journal of Computational Chemistry 43 (3), 160-169, 2022
412022
Highly selective palladium-catalyzed hydroborylative carbocyclization of bisallenes to seven-membered rings
C Zhu, B Yang, BK Mai, S Palazzotto, Y Qiu, A Gudmundsson, A Ricke, ...
Journal of the American Chemical Society 140 (43), 14324-14333, 2018
392018
How Does CO2 React with Styrene Oxide in Co-MOF-74 and Mg-MOF-74? Catalytic Mechanisms Proposed by QM/MM Calculations
K Xu, AMP Moeljadi, BK Mai, H Hirao
The Journal of Physical Chemistry C 122 (1), 503-514, 2018
392018
Is it Fe (III)-oxyl radical that abstracts hydrogen in the C–H activation of TauD? A theoretical study based on the DFT potential energy surfaces
BK Mai, Y Kim
Inorganic Chemistry 55 (8), 3844-3852, 2016
392016
Tropylium-Promoted Hydroboration Reactions: Mechanistic Insights Via Experimental and Computational Studies
NNH Ton, BK Mai, TV Nguyen
The Journal of Organic Chemistry 86 (13), 9117-9133, 2021
372021
Mechanical unfolding of acylphosphatase studied by single-molecule force spectroscopy and MD simulations
G Arad-Haase, SG Chuartzman, S Dagan, R Nevo, M Kouza, BK Mai, ...
Biophysical journal 99 (1), 238-247, 2010
362010
Confronting the challenging asymmetric carbonyl 1, 2-addition using vinyl heteroarene pronucleophiles: ligand-controlled regiodivergent processes through a dearomatized Allyl …
Y Dong, AW Schuppe, BK Mai, P Liu, SL Buchwald
Journal of the American Chemical Society 144 (13), 5985-5995, 2022
352022
Insights into the binding and covalent inhibition mechanism of PF-07321332 to SARS-CoV-2 M pro
ST Ngo, TH Nguyen, NT Tung, BK Mai
RSC advances 12 (6), 3729-3737, 2022
332022
Copper hydride-catalyzed enantioselective olefin hydromethylation
Y Dong, K Shin, BK Mai, P Liu, SL Buchwald
Journal of the American Chemical Society 144 (36), 16303-16309, 2022
322022
Unusual alternating crystallization-induced emission enhancement behavior in nonconjugated ω-phenylalkyl tropylium salts
RD Crocker, DP Pace, B Zhang, DJM Lyons, MM Bhadbhade, ...
Journal of the American Chemical Society 143 (48), 20384-20394, 2021
292021
Efficient formation of 2, 3-dihydrofurans via iron-catalyzed cycloisomerization of α-allenols
A Guđmundsson, KPJ Gustafson, BK Mai, B Yang, F Himo, JE Backvall
ACS Catalysis 8 (1), 12-16, 2018
292018
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Články 1–20