Binh Khanh Mai - Dissemin

All papers authored by Binh Khanh Mai

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2023 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

, John Mondal

Experimental Validation and Computational Predictions Join Forces to Map Catalytic C–H Activation in Ferrocene Metalated Porous Organic Polymers

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2019 Son Tung Ngo

, Binh Khanh Mai

, Philippe Derreumaux

, Van V. Vu

Adequate prediction for inhibitor affinity of Aβ40 protofibril using the linear interaction energy method

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2017 Kai Xu, Adhitya Mangala Putra Moeljadi, Binh Khanh Mai

, Hajime Hirao

How Does CO2 React with Styrene Oxide in Co-MOF-74 and Mg-MOF-74? Catalytic Mechanisms Proposed by QM/MM Calculations

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Arnar Guđmundsson, Karl P. J. Gustafson, Binh Khanh Mai

, Bin Yang, Fahmi Himo

, Jan-E. Bäckvall

Efficient Formation of 2,3-Dihydrofurans via Iron-Catalyzed Cycloisomerization of α-Allenols

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Yongho Kim, Binh Khanh Mai

, 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

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2016 Binh Khanh Mai

, Yongho Kim

Kinetic Isotope Effects as a Probe for the Protonolysis Mechanism of Alkylmetal Complexes: VTST/MT Calculations Based on DFT Potential Energy Surfaces

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Binh Khanh Mai

, 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

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2015 Yoon Hye Kwon, Binh Khanh Mai

, Yong-Min Lee, Sunder N. Dhuri, Debasish Mandal, Kyung Bin Cho

, Yongho Kim, Sason Shaik, Wonwoo Nam

Determination of Spin Inversion Probability, H-Tunneling Correction and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)-Oxo Complexes

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Binh Khanh Mai

, Yongho Kim

The Kinetic Isotope Effect as a Probe of Spin Crossover in the CH Activation of Methane by the FeO+Cation

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Hua Fang, Binh Khanh Mai

, 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

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Son Tung Ngo, Binh Khanh Mai

, Hiep Minh Dinh, Dinh Minh Hiep, Mai Suan Li

Estimation of the Binding Free Energy of AC1NX476 to HIV-1 Protease Wild Type and Mutations Using Free Energy Perturbation Method

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2014 Yongho Kim, Binh Khanh Mai

Long-Range Proton Relay Shows an Inverse Linear Free Energy Relationship Depending on the pKa of the Hydrogen-Bonded Wire

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Binh Khanh Mai

, Yongho Kim

Substrate-Dependent H/D Kinetic Isotope Effects and the Role of the Di(μ-oxo)diiron(IV) Core in Soluble Methane Monooxygenase: A Theoretical Study

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2013 Shashi Sriram, Jung Hoon Lee, Binh Khanh Mai

, Yanxialei Jiang, Yongho Kim, Young Dong Yoo, Rajkumar Banerjee, Seung-Han Lee, Min Jae Lee

Development and Characterization of Monomeric N-End Rule Inhibitors through In Vitro Model Substrates

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Binh Khanh Mai

, 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

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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, Min Jae Lee

Characterization of Mammalian N-degrons and Development of Heterovalent Inhibitors of the N-end Rule Pathway

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2012 Binh Khanh Mai

, Kisoo Park, My Phu Thy Duong, Yongho Kim

Proton Transfer Dependence on Hydrogen-Bonding of Solvent to the Water Wire: A Theoretical Study

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Mai Suan Li, Binh Khanh Mai

, Binh Khanh Mai

Steered Molecular Dynamics - A Promising Tool for Drug Design

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Lawrence M. Pratt, Binh Khanh Mai

, B. Ramu Ramachandran

Carbenoid Alkene Insertion Reactions of Oxiranyllithiums

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2011 Trang Truc Nguyen, Binh Khanh Mai

, Mai Suan Li

Study of Tamiflu Sensitivity to Variants of A/H5N1 Virus Using Different Force Fields

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All papers authored by Binh Khanh Mai