Embedded Files
84. Cheng Yang, Christopher J. Huck, Yaroslav D. Boyko, Shang Ning, Uroš Vezonik, Alexander S. Shved, Scott E. Denmark, Binh Khanh Mai*, and David Sarlah*
Stereodivergent Synthesis of Perhydrobenz[e]indene Terpenoids
J. Am. Chem. Soc., 2025. [LINK]
83. Liu-Peng Zhao, Huichong Liu, Binh Khanh Mai, Yu Zhang, Lida Cheng, Peng Liu*, and Yang Yang*
Nonheme Fe 1,3-Nitrogen Migratases for Asymmetric Noncanonical Amino Acid Synthesis
Nat. Chem. Biol., 2025. [LINK] [SharedIt link]
82. Feng Zhong, Renhe Li, Binh Khanh Mai, Peng Liu*, and Gregory C. Fu*
Photoinduced Copper-Catalysed Deracemization of Alkyl Halides
Nature, 2025, 640, 107-113. [LINK] [SharedIt link]
81. Turki M. Alturaifi, Kristin Shimabukuro, Jack C. Sharland, Binh Khanh Mai, Evan A. Weingarten, Mithun C. Madhusudhanan, Djamaladdin G. Musaev*, Peng Liu*, and Huw M. L. Davies*
Hexafluoroisopropanol Solvent Effects on Enantioselectivity of Dirhodium Tetracarboxylate-Catalyzed Cyclopropanation
J. Am. Chem. Soc., 2025, 147, 14694-14704. [LINK]
80. Tyler D. Casselman, Mithun Madhusudhanan, Binh Khanh Mai, Peng Liu*, and Brian M. Stoltz*
Potassium tert-Butoxide Mediated Stereoselective/Direct Mannich Reaction of α-Substituted-γ-Lactams with in situ Generated Aryl N-Silyl Imines
Chem. Sci., 2025, 16, 9863-9871. [LINK]
79. Nhan Nu Hong Ton, Binh Khanh Mai, Thomas Fallon, Thanh Vinh Nguyen*
Rapid Access to Conjugated Z,Z,Z-Trienes
Angew. Chem. Int. Ed., 2025, 64, e202502713. [LINK]
78. Hui Pan, Qing An, Binh Khanh Mai, Yuegang Chen, Peng Liu*, and Zhiwei Zuo*
Iron-Catalyzed Aerobic Carbonylation of Methane via Ligand-to-Metal Charge Transfer Excitation
J. Am. Chem. Soc., 2025, 147, 1440-1447. [LINK]
77. Qinghe Liu§, Can Qin§, Jing Wan§, Binh Khanh Mai§, Xin Zhi Sui, Haruki Kobayashi, Hossein Zahedian, Peng Liu*, and Amir H. Hoveyda*
Synthesis of Z-gem-Cl,CF3-Substituted Alkenes by Stereoselective Cross-Metathesis and the Role of Disubstituted Mo Alkylidenes
J. Am. Chem. Soc., 2024, 146, 22485-22497. [LINK]
(§ - equal contribution)
76. Shawn Ng, Casey Howshall, Thanh Nhat Ho, Binh Khanh Mai, Yuebiao Zhou, Can Qin, Kai Ze Tee, Peng Liu*, Filippo Romiti*, and Amir H. Hoveyda*
Catalytic Prenyl Conjugate Additions for Synthesis of Enantiomerically Enriched PPAPs
Science, 2024, 386, 167-175. [LINK]
75. Tuan Hoang Ho, Binh Khanh Mai, Tuong Anh To, and Thanh Vinh Nguyen*
A 1,2-Aryl Migration Reaction in Visible-Light-Mediated Synthesis of Quinoxaline Derivatives: Mechanistic Studies
Org. Lett., 2024, 41, 8842-8847. [LINK]
74. Domenic P. Pace, Reece D. Crocker, William J. Kendrick, Bolong Zhang, Wallace W. H. Wong, Binh Khanh Mai*, Timothy W. Schmidt, and Thanh Vinh Nguyen*
Development of a Novel Solid State Organic Fluorophore: Excited-State Aromatization-Induced Structural Planarization
Adv. Optical Mater., 2024, 2401523. [LINK]
73. Banruo Huang, Binh Khanh Mai, Ulrike Warzok, Peng Liu*, and F. Dean Toste*
On the Gold(I)-Catalyzed Enantioselective Addition of Indole to Diphenylallene via Anion-Binding Catalysis
Tetrahedron Lett., 2024, 149, 155247. [LINK]
72. Ankita Boruah, Bishal Boro, Ratul Paul, Chia-Che Chang, Srayee Mandal, Abhijit Shrotri, Chih-Wen Pao, Binh Khanh Mai*, and John Mondal*
Site-Selective Zn-Metalation in Poly-Triphenyl Amine-based Porous Organic Polymer for Solid–Gas Phase CO2 Photoreduction
ACS Appl. Mater. Interfaces, 2024, 16, 34437-34449. [LINK]
71. Subhash Garhwal, Yuyang Dong, Binh Khanh Mai, Peng Liu*, and Stephen L. Buchwald*
CuH-Catalyzed Regio- and Enantioselective Formal Hydroformylation of Vinyl Arenes
J. Am. Chem. Soc., 2024, 146, 13733-13740. [LINK]
70. Kerr Ding, Michael Chin, Yunlong Zhao, Binh Khanh Mai, Wei Huang, Huanan Wang, Peng Liu*, Yang Yang*, and Yunan Luo*
Machine Learning-Guided Co-Optimization of Fitness and Diversity Facilitates Combinatorial Library Design in Enzyme Engineering
Nat. Commun., 2024, 15, 6392. [LINK]
69. Tian-Ci Wang, Binh Khanh Mai, Zheng Zhang, Zhiyu Bo, Jiedong Li, Peng Liu*, and Yang Yang*
Stereoselective Amino Acid Synthesis by Photobiocatalytic Oxidative Coupling
Nature, 2024, 629, 98-104. [LINK]
68. Liu-Peng Zhao, Binh Khanh Mai, Lida Cheng, Fangqiu Gao, Yunlong Zhao, Rui Guo, Hao Wu, Yongda Zhang, Peng Liu*, and Yang Yang*
Biocatalytic Enantioselective C(sp3)–H Fluorination Enabled by Directed Evolution of Nonheme Fe Enzymes
Nat. Synth., 2024, 3, 967-975 [LINK] [SharedIt link]
67. Tuong Anh To, Nhu Thi Ai Phan, Binh Khanh Mai*, and Thanh Vinh Nguyen*
Controlling Regioselectivity of the Bromolactonization Reaction in HFIP
Chem. Sci., 2024, 15, 7187-7197. [LINK]
66. Shuyun Ju, Dian Li, Binh Khanh Mai, Xin Liu, Alec Vallota-Eastman, Jianping Wu, David L. Valentine, Peng Liu*, and Yang Yang*
Stereodivergent Photobiocatalytic Radical Cyclization through the Repurposing and Directed Evolution of Fatty Acid Photodecarboxylases
Nat. Chem., 2024, 16, 1339-1347. [LINK] [SharedIt link]
65. Ratul Paul, Ankita Boruah, Risov Das, Subhajit Chakraborty, Kapil Chahal, Dhruba Jyoti Deka, Sebastian C. Peter, Binh Khanh Mai*, and John Mondal*
Pyrolysis Free Out-of-Plane Co-Single Atomic Sites in Porous Organic Photopolymer Stimulates Solar-Powered CO2 Fixation
Small, 2023, 20, 2305307. [LINK]
64. Youming Huang, Xinghan Li, Binh Khanh Mai, Emily J. Tonogai, Amanda J. Smith, Paul J. Hergenrother, Peng Liu*, and Amir H. Hoveyda*
A Catalytic Process Enables Efficient and Programmable Access to Precisely Altered Indole Alkaloid Scaffolds
Nat. Chem., 2024, 16, 1003-1014. [LINK] [SharedIt link]
62. Son H. Doan, Binh Khanh Mai*, and Thanh Vinh Nguyen*
Moisture-Assisted Hydroboration of Nitriles and Conversion Thereof to N-Heterocyles and N-Containing Derivatives
Org. Lett., 2023, 25, 8981-8986. [LINK]
61. Dennis A. Kutateladze, Binh Khanh Mai, Yuyang Dong, Yu Zhang, Peng Liu*, and Stephen L. Buchwald*
Stereoselective Synthesis of Trisubstituted Alkenes via Copper Hydride-Catalyzed Alkyne Hydroalkylation
J. Am. Chem. Soc., 2023, 145, 17557-17563. [LINK]
60. Son H. Doan, Binh Khanh Mai*, and Thanh Vinh Nguyen*
A Universal Organocatalyst for Selective Mono-, Di-, and Triboration of Terminal Alkynes
ACS Catal., 2023, 13, 8099-8105. [LINK]
59. Bishal Boro, Ratul Paul, Hui Ling Tan, Quang Thang Trinh, Jabor Rabeah, Chia-Che Chang, Chih-Wen Pao, Wen Liu, Nam-Trung Nguyen, Binh Khanh Mai*, and John Mondal*
Experimental Validation and Computational Predictions Join Forces to Map Catalytic C–H Activation in Ferrocene Metalated Porous Organic Polymers
ACS Appl. Mater. Interfaces, 2023, 15, 21027-21039. [LINK]
58. Seifallah Abid, Kevin P. Quirion, Yi Yang, Renhe Tang, Binh Khanh Mai, Peng Liu*, and Anis Tlili*
Photochemically Driven Nickel-Catalyzed Carboxylative C–N Coupling: Scope and Mechanism
Chem. Eur. J., 2023, e202301271. [LINK]
57. Jasnoor S. Mann, Binh Khanh Mai, and Thanh Vinh Nguyen*
Carbocation-Catalyzed Intramolecular and Intermolecular Carbonyl-Alkyne Metathesis Reactions
ACS Catal., 2023, 13, 2696-2701. [LINK]
56. Tobias Koengeter, Can Qin, Binh Khanh Mai, Qinghe Liu, Yucheng Mu, Peng Liu*, and Amir H. Hoveyda*
Catalytic Cross-Metathesis Reactions That Afford E- and Z-Trisubstituted Alkenyl Bromides: Scope, Applications, and Mechanistic Insights
J. Am. Chem. Soc., 2023, 145, 3774-3785. [LINK]
55. Binh Khanh Mai, Natalia M. Neris, Yang Yang*, and Peng Liu*
C–N Bond Forming Radical Rebound Is the Enantioselectivity-Determining Step in P411-Catalyzed Enantioselective C(sp3)–H Amination: A Combined Computational and Experimental Investigation
J. Am. Chem. Soc., 2022, 144, 11215-11225. [LINK]
54. Edward Miller§, Binh Khanh Mai§, Jacquelyne A. Read, William C. Bell, Jeffrey S. Derrick, Peng Liu*, and F. Dean Toste*
A Combined DFT, Energy Decomposition, and Data Analysis Approach Reveals the Relationship Between Non-Covalent Interactions and Selectivity in a Flexible DABCOnium/Chiral Anion Catalyst System
ACS Catal., 2022,12, 12369-12385. [LINK]
(§ - equal contribution)
53. Changmin Xie, Jacob Kim, Binh Khanh Mai, Shixuan Cao, Rong Ye, Xin-Yi Wang, Peng Liu*, and Ohyun Kwon*
Enantioselective Synthesis of Quaternary Oxindoles: Desymmetrizing Staudinger–Aza-Wittig Reaction Enabled by a Bespoke HypPhos Oxide Catalyst
J. Am. Chem. Soc., 2022, 144, 21318-21327. [LINK]
52. Amit Kumar Simlandy, Warabhorn Rodphon, Turki M. Alturaifi, Binh Khanh Mai, Hui-Qi Ni, John A. Gurak, Jr., Peng Liu*, and Keary M. Engle*
Catalytic Addition of Nitroalkanes to Unactivated Alkenes via Directed Carbopalladation
ACS. Catal., 2022, 12, 13755-13762. [LINK]
Highlighted in ChemistryViews.
51. Shibo Xu, Juan del Pozo, Filippo Romiti, Yue Fu, Binh Khanh Mai, Ryan J. Morrison, KyungA Lee, Shaowei Hu, Ming Joo Koh, Jaehee Lee, Xinghan Li, Peng Liu*, and Amir H. Hoveyda*
Diastereo- and Enantioselective Synthesis of Compounds with a Trifluoromethyl- and Fluorosubstituted Carbon Center and Their Unusual Chemistry
Nat. Chem., 2022, 14, 1459-1469. [LINK]
50. Minh Tuan Ha, Nina Thi Nguyen, Ngoc Huyen Tran, Quoc Viet Ho, Nguyen Thi Son, Van Ha Nguyen, Hien Nguyen, Dang Van Do, Tran Quang Hung*, Binh Khanh Mai*, and Tuan Thanh Dang*
Cu-catalyzed Synthesis of Quinolines by Dehydrogenative Reaction of 2-Aminobenzyl Alcohol and Ketones: A Combined Experimental and Computational Study
Chem. Asian J., 2022, 17, e202200909. [LINK]
49. Tuong Anh To, Binh Khanh Mai*, and Thanh Vinh Nguyen*
Towards Homogeneous Brønsted Acid-Catalyzed Intramolecular Carbonyl-Olefin Metathesis Reactions
Org. Lett., 2022, 24, 7237-7241. [LINK]
48. Son H. Doan, Nhan N. H. Ton, Binh Khanh Mai*, and Thanh Vinh Nguyen*
Organosuperbase Catalyzed 1, 1-Diboration of Alkynes
ACS Catal., 2022, 12, 12409-12418. [LINK]
47. Yuyang Dong, Kwangmin Shin, Binh Khanh Mai, Peng Liu*, and Stephen L. Buchwald*
Copper Hydride-Catalyzed Enantioselective Olefin Hydromethylation
J. Am. Chem. Soc., 2022, 144, 16303-16309. [LINK]
46. Demelza J. M. Lyons, An H. Dinh, Nhan N. H. Ton, Reece D. Crocker, Binh Khanh Mai*, and Thanh Vinh Nguyen*
Ring Contraction of Tropylium Ions into Benzenoid Derivatives
Org. Lett., 2022, 24, 2520-2525. [LINK]
45. Yuyang Dong, Alexander W. Schuppe, Binh Khanh Mai, Peng Liu*, and Stephen L. Buchwald*
Confronting the Challenging Asymmetric Carbonyl 1,2-Addition using Vinyl Heteroarene Pronucleophiles: Ligand-Controlled Regiodivergent Processes Through a Dearomatized Allyl-Cu Species
J. Am. Chem. Soc., 2022, 144, 5985-5995. [LINK]
44. Woo-Ok Jung, Binh Khanh Mai, Minjin Yoo, Samuel W. J. Shields, Jason R. Zbieg*, Craig E. Stivala*, Peng Liu*, and Michael J. Krische*
Kinetic, ESI-CID-MS and Computational Studies of π-Allyliridium C,O-Benzoate-Catalyzed Allylic Amination: Understanding the Effect of Cesium Ion
ACS Catal., 2022, 12, 3660-3668. [LINK]
43. Son Tung Ngo*, Trung Hai Nguyen, Nguyen Thanh Tung, Van V. Vu, Binh Khanh Mai
Characterizing the ligand-binding affinity to SARS-CoV-2 Mpro via physics- and knowledge-based approaches
Phys. Chem. Chem. Phys., 2022, 24, 29266-29278. [LINK]
42. Son Tung Ngo, Han N. Phan, Cuong X. Luu, Chinh N. Le, Giap T. Ho, Nhung T. C. Ngo, Loan Q. Le, Binh Khanh Mai, Huong T. T. Phung, Hoang-Dung Nguyen, Khanh B. Vu, and Van V. Vu*
Distal Hydrophobic Loop Modulates the Copper Active Site and Reaction of AA13 Polysaccharide Monooxygenases
J. Phys. Chem. B, 2022, 126, 7567-7578. [LINK]
41. Son Tung Ngo*, Trung Hai Nguyen, Nguyen Thanh Tung, and Binh Khanh Mai*
Insights into the Binding and Covalent Inhibition Mechanism of PF-07321332 to SARS-CoV2 Mpro
RSC Adv., 2022, 12, 3729-3737. [LINK]
40. T. Ngoc Han Pham, Trung Hai Nguyen, Nguyen Minh Tam, Vu Thien Y, Nhat Truong Pham, Nguyen Truong Huy, Binh Khanh Mai, Nguyen Thanh Tung, Minh Quan Pham, Van V. Vu, and Son Tung Ngo*
Improving the Accuracy of AutoDock Vina by Changing the Empirical Parameters
J. Comput. Chem., 2022, 43, 160-169. [LINK]
39. Reece D. Crocker, Domenic P. Pace, Bolong Zhang, Demelza J. M. Lyons, Mohan Bhadbhade, Wallace W. H. Wong*, Binh Khanh Mai*, and Thanh Vinh Nguyen*
Unusual Alternating Crystallization-Induced Emission Enhancement Behavior in Non-Conjugated ω-Phenylalkyl Tropylium Salts
J. Am. Chem. Soc., 2021, 143, 20384-20394. [LINK]
38. Thomas J. O’Connor, Binh Khanh Mai, Jordan Nafie, Peng Liu*, and F. Dean Toste*
Generation of Axially Chiral Fluoroallenes through a Copper-Catalyzed Enantioselective β-Fluoride Elimination
J. Am. Chem. Soc., 2021, 143, 13759-13768. [LINK]
37. Woo-Ok Jung, Binh Khanh Mai, Brian J. Spinello, Zachary J. Dubey, Seung Wook Kim, Craig E. Stivala*, Jason R. Zbieg*, Peng Liu*, and Michael J. Krische*
Enantioselective Iridium-Catalyzed Allylation of Nitroalkanes: Entry to β-Stereogenic α-Quaternary Primary Amines
J. Am. Chem. Soc., 2021, 143, 9343-9349. [LINK]
36. Nhan N. H. Ton, Binh Khanh Mai*, and Thanh Vinh Nguyen*
Tropylium-Promoted Hydroboration Reactions: Mechanistic Insights via Experimental and Computational Studies
J. Org. Chem., 2021, 86, 9117-9133. [LINK]
35. Jun Hyoung Jeon, Tae Rim Oh, Seoyoung Park, Sunghoo Huh, Ji Hyeon Kim, Binh Khanh Mai, Jung Hoon Lee, Se Hyun Kim, Min Jae Lee*
The Antipsychotic Drug Clozapine Suppresses the RGS4 Polyubiquitylation and Proteasomal Degradation Mediated by the Arg/N-degron Pathway
Neurotherapeutics, 2021, 18, 1768-1782. [LINK]
34. Demelza J. M. Lyons, Claire Empel, Domenic P. Pace, An H. Dinh, Binh Khanh Mai*, Rene M. Koenigs*, and Thanh Vinh Nguyen*
Tropolonate Salts as Acyl Transfer Catalysts under Thermal and Photochemical Conditions: Reaction Scope and Mechanistic Insights
ACS Catal., 2020, 10, 12596-12606. [LINK]
33. Xin Wang§, Zi-Qi Li§, Binh Khanh Mai§, John A. Gurak, Jr., Jessica E. Xu, Van T. Tran, Zhen Liu, Zhonglin Liu, Kin S. Yang, Rong Xiang, Peng Liu*, and Keary M. Engle*
Controlling Cyclization Pathways in Palladium(II)-Catalyzed Intramolecular Alkene Hydrofunctionalization via Substrate Directivity
Chem. Sci., 2020, 11, 11307-11314. [LINK]
(§ - equal contribution)
32. Man Li, Amparo Sanz-Marco, Samuel Martinez-Erro, Victor García-Váquez, Binh Khanh Mai, Jacob Fernández-Gallardo, Fahmi Himo*, and Belén Martín-Matute*
Unraveling the Mechanism of the Ir(III)-Catalyzed Regiospecific Synthesis of α-Chlorocarbonyl Compounds from Allylic Alcohols
Chem. Eur. J., 2020, 26, 14978-14986. [LINK]
31. Binh Khanh Mai and Fahmi Himo*
Mechanisms of Metal-Catalyzed Electrophilic F/CF3/SCF3 Transfer Reactions from Quantum Chemical Calculations
Top. Organomet. Chem. 2020, 67, 39-56. [LINK]
(in New Directions in the Modeling of Organometallic Reactions)
30. Takahiro Hirai, Daiki Kato, Binh Khanh Mai, Shoichiro Katayama, Shoko Akiyama, Haruki Nagae, Fahmi Himo*, Kazushi Mashima*
Esterification of Tertiary Amides: Remarkable Additive Effects of Potassium Alkoxides for Generating Hetero Manganese‐Potassium Dinuclear Active Species
Chem. Eur. J., 2020, 26, 10735-10742. (Hot Paper) [LINK] [Front Cover] [Cover Profile]
29. Can Zhu, Jie Liu, Binh Khanh Mai, Fahmi Himo*, and Jan-E. Bäckvall*
Efficient Stereoselective Carbocyclization to cis-1,4-Disubstituted Heterocycles Enabled by Dual Pd/Electron Transfer Mediator (ETM) Catalysis
J. Am. Chem. Soc., 2020, 142, 5751-5759. [LINK]
28. Seung Wook Kim, Cole C. Meyer, Binh Khanh Mai, Peng Liu*, and Michael J. Krische*
Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study
ACS Catal., 2019, 9, 9158-9163. [LINK]
27. Arnar Guðmundsson, Karl P. J. Gustafson, Binh Khanh Mai, Viola Hobiger, Fahmi Himo*, and Jan-E. Bäckvall*
Diastereoselective Synthesis of N-Protected 2,3-Dihydropyrroles via Iron-Catalyzed Cycloisomerization of α-Allenic Sulfonamides
ACS Catal., 2019, 9, 1733-1737. [LINK]
26. Son Tung Ngo*, Binh Khanh Mai*, Philippe Derreumaux, and Van V. Vu
Adequate Prediction for Inhibitor Affinity of Aβ40 Protofibril using the Linear Interaction Energy Method
RSC Adv., 2019, 9, 12455-12461. [LINK]
25. Binh Khanh Mai, Kálmán J. Szabó*, and Fahmi Himo*
Mechanisms of Rh-Catalyzed Oxyamino-fluorination and Oxyamino-trifluoromethylthiolation of Diazocarbonyl Compounds with Electrophilic Reagents
Org. Lett., 2018, 20, 6646-6649. [LINK]
24. Can Zhu, Bin Yang, Binh Khanh Mai, Sara Palazzotto, Youai Qiu, Arnar Guðmundsson, Alexander Ricke, Fahmi Himo*, and Jan-E. Bäckvall*
Highly Selective Palladium-Catalyzed Hydroborylative Carbocyclization of Bisallenes to Seven-Membered Rings
J. Am. Chem. Soc., 2018, 140, 14324-14333. [LINK]
23. Binh Khanh Mai, Kálmán J. Szabó*, and Fahmi Himo*
Mechanisms of Rh-Catalyzed Oxyfluorination and Oxytrifluoromethylation of Diazocarbonyl Compounds with Hypervalent Fluoroiodine
ACS Catal., 2018, 8, 4483-4492. [LINK]
22. Arnar Guðmundsson, Karl P. J. Gustafson, Binh Khanh Mai, Bin Yang*, Fahmi Himo*, and Jan-E. Bäckvall*
Efficient Formation of 2,3-Dihydrofurans via Iron-Catalyzed Cycloisomerization of α-Allenols
ACS Catal., 2018, 8, 12-16. [LINK]
21. Kai Xu, Adhitya Mangala Putra Moeljadi, Binh Khanh Mai, and Hajime Hirao*
How Does CO2 React with Styrene Oxide in Co-MOF-74 and Mg-MOF-74? Catalytic Mechanisms Proposed by QM/MM Calculations
J. Phys. Chem. C, 2018, 122, 503-514. [LINK]
20. Yongho Kim*, Binh Khanh Mai, and Sumin Park
VTST/MT Studies of the Catalytic Mechanism of C–H Activation by Transition Metal Complexes with [Cu2(μ-O2)], [Fe2(μ-O2)] and Fe(IV)–O Cores based on DFT Potential Energy Surfaces
J. Biol. Inorg. Chem., 2017, 22, 321-338. [LINK]
19. Binh Khanh Mai and Yongho Kim*
Kinetic Isotope Effects as a Probe for the Protonolysis Mechanism of Alkylmetal Complexes: VTST/MT Calculations Based on DFT Potential Energy Surfaces
Inorg. Chem., 2016, 55, 9822-9829. [LINK]
18. Binh Khanh Mai and Yongho Kim*
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
Inorg. Chem., 2016, 55, 3844-3852. [LINK]
17. Yoon Hye Kwon§, Binh Khanh Mai§, Yong-Min Lee, Sunder N. Dhuri, Debasish Mandal, Kyung-Bin Cho*, Yongho Kim*, Sason Shaik*, and Wonwoo Nam*
Determination of Spin Inversion Probability, H-Tunneling Correction and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)–Oxo Complexes
J. Phys. Chem. Lett., 2015, 6, 1472-1476. [LINK]
(§ - equal contribution)
16. Binh Khanh Mai and Yongho Kim*
The Kinetic Isotope Effect as a Probe of Spin Crossover in the C–H Activation of Methane by the FeO+ Cation
Angew. Chem. Int. Ed., 2015, 54, 3946-3951. [LINK]
15. Binh Khanh Mai and Yongho Kim*
Long-range Proton Relay Shows an Inverse Linear Free Energy Relationship Depending on the pKa of the Hydrogen-bonded Wire
RSC Adv., 2015, 5, 2669-2676. [LINK]
14. Hua Fang, Binh Khanh Mai, and Yongho Kim*
Excited-State Multiple Proton Transfer Depending on the Acidity and Basicity of Mediating Alcohols in 7-Azaindole–(ROH)2 (R=H, CH3) Complexes: A Theoretical Study
Photochem. Photobiol., 2015, 91, 306-314. [LINK]
13. Son Tung Ngo*, Binh Khanh Mai, Dinh Minh Hiep, and Mai Suan Li*
Estimation of the Binding Free Energy of AC1NX476 to HIV-1 Protease Wild Type and Mutations Using Free Energy Perturbation Method
Chem. Biol. Drug. Des., 2015, 86, 546-558. [LINK]
12. Binh Khanh Mai and Yongho Kim*
Substrate Dependent H/D Kinetic Isotope Effects and the Role of Di(μ-oxo)diiron(IV) Core in Soluble Methane Monooxygenase: A Theoretical Study
Chem. Eur. J., 2014, 20, 6532-6541. [LINK]
11. Binh Khanh Mai and Yongho Kim*
Theoretical Studies for Large Tunneling and the Hydrogen-Transfer Mechanism in the C–H Activation of CH3CN by a Di(μ-oxo)diiron(IV) Complex: A Model for Intermediate Q in Soluble Methane Monooxygenase
Chem. Eur. J., 2013, 19, 3568-3572. [LINK]
10. Binh Khanh Mai, Kisoo Park, My Phu Thi Duong, and Yongho Kim*
Proton Transfer Dependence on Hydrogen-Bonding of Solvent to the Water Wire: A Theoretical Study
J. Phys. Chem. B, 2013, 117, 307-315. [LINK]
9. Shashi Sriram§, Jung Hoon Lee§, Binh Khanh Mai§, Yanxialei Jiang, Yongho Kim, Young Dong Yoo, Rajkumar Banerjee, Seung-Han Lee, and Min Jae Lee*
Development and Characterization of Monomeric N-End Rule Inhibitors through In Vitro Model Substrates
J. Med. Chem., 2013, 56, 2540-2546. [LINK]
(§ - equal contribution)
8. Yanxialei Jiang, Subrata Kumar Pore, Jung Hoon Lee, Shashi Sriram, Binh Khanh Mai, Dong Hoon Han, Pritha Agarwalla, Adriana Zakrzewska, Yongho Kim, Rajkumar Banerjee, Seung-Han Lee, and Min Jae Lee*
Characterization of Mammalian N-degrons and Development of Heterovalent Inhibitors of the N-end Rule Pathway
Chem. Sci., 2013, 4, 3339-3346. [LINK]
7. Lawrence M. Pratt, Binh Khanh Mai, and B. Ramu Ramachandran*
Carbenoid Alkene Insertion Reactions of Oxiranyllithiums
J. Org. Chem., 2012, 77, 8605-8614. [LINK]
6. Mai Suan Li* and Binh Khanh Mai
Steered Molecular Dynamics - Promising Tool for Drug Design
Curr. Bioinform., 2012, 7, 342-351. [LINK]
5. Trang Truc Nguyen, Binh Khanh Mai, and Mai Suan Li*
Study of Tamiflu Sensitivity to Variants of A/H5N1 Virus Using Different Force Fields
J. Chem. Inf. Model., 2011,51, 2266-2276. [LINK]
4. Binh Khanh Mai and Mai Suan Li*
Neuraminidase Inhibitor R-125489 - A Promising Drug for Treating Influenza Virus: Steered Molecular Dynamics Approach
Biochem. Biophys. Res. Commun., 2011, 410, 688-691. [LINK]
3. Lawrence M. Pratt*, Stewart Voit, Binh Khanh Mai, and BichLien H. Nguyen
Lithium Cuprate Coupling Reactions: Evaluation of Computational Methods for Determination of the Reaction Mechanisms
J. Phys. Chem. A, 2010, 114, 5005-5015. [LINK]
2. Binh Khanh Mai, Man Hoang Viet, and Mai Suan Li*
Top Leads for Swine Influenza A/H1N1 Virus Revealed by Steered Molecular Dynamics Approach
J. Chem. Inf. Model., 2010, 50, 2236-2247. [LINK]
1. Gali Arad-Haase, Silvia G. Chuartzman, Shlomi Dagan, Reinat Nevo, Maksim Kouza, Binh Khanh Mai, Hung Tien Nguyen, Mai Suan Li*, and Ziv Reich*
Mechanical Unfolding of Acylphosphatase Studied by Single-Molecule Force Spectroscopy and MD Simulations
Biophys. J., 2010, 99, 238-247. [LINK]
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