Study of the properties of molecularly imprinted polymers by computational and conformational analysis Y Liu, F Wang, T Tan, M Lei Analytica chimica acta 581 (1), 137-146, 2007 | 91 | 2007 |
Why is Leu55→ Pro55 transthyretin variant the most amyloidogenic: Insights from molecular dynamics simulations of transthyretin monomers M Yang, M Lei, S Huo Protein science 12 (6), 1222-1231, 2003 | 60 | 2003 |
The nature of hydrogen production from aqueous‐phase methanol dehydrogenation with ruthenium pincer complexes under mild conditions M Lei, Y Pan, X Ma European Journal of Inorganic Chemistry 2015 (5), 794-803, 2015 | 59 | 2015 |
Toward understanding metal-binding specificity of porphyrin: a conceptual density functional theory study XT Feng, JG Yu, M Lei, WH Fang, S Liu The Journal of Physical Chemistry B 113 (40), 13381-13389, 2009 | 49 | 2009 |
Mechanistic Investigations on Thermal Hydrogenation of CO2 to Methanol by Nanostructured CeO2(100): The Crystal-Plane Effect on Catalytic Reactivity W Zhang, XL Ma, H Xiao, M Lei, J Li The Journal of Physical Chemistry C 123 (18), 11763-11771, 2019 | 47 | 2019 |
Dynamics and cooperativity of Trp-cage folding Z Hu, Y Tang, H Wang, X Zhang, M Lei Archives of biochemistry and biophysics 475 (2), 140-147, 2008 | 43 | 2008 |
Origins of enantioselectivity in asymmetric ketone hydrogenation catalyzed by a RuH 2 (binap)(cydn) complex: insights from a computational study R Feng, A Xiao, X Zhang, Y Tang, M Lei Dalton Transactions 42 (6), 2130-2145, 2013 | 36 | 2013 |
Initial conformational changes of human transthyretin under partially denaturing conditions M Yang, M Lei, R Bruschweiler, S Huo Biophysical journal 89 (1), 433-443, 2005 | 36 | 2005 |
A Hydride-Shuttle Mechanism for the Catalytic Hydroboration of CO2 L Li, H Zhu, L Liu, D Song, M Lei Inorganic Chemistry 57 (6), 3054-3060, 2018 | 34 | 2018 |
Mechanistic insights into the directed hydrogenation of hydroxylated alkene catalyzed by bis (phosphine) cobalt dialkyl complexes X Ma, M Lei The Journal of Organic Chemistry 82 (5), 2703-2712, 2017 | 32 | 2017 |
A novel quantum Monte Carlo strategy: Surplus function approach H Huang, Q Xie, Z Cao, Z Li, Z Yue, L Ming The Journal of chemical physics 110 (8), 3703-3707, 1999 | 32 | 1999 |
Preference of H2 as Hydrogen Source in Hydrogenation of Ketones Catalyzed by Late Transition Metal Complexes. A DFT Study M Lei, W Zhang, Y Chen, Y Tang Organometallics 29 (3), 543-548, 2010 | 31 | 2010 |
Nature of asynchronous hydrogen transfer in ketone hydrogenation catalyzed by Ru complex Y Chen, S Liu, M Lei The Journal of Physical Chemistry C 112 (35), 13524-13527, 2008 | 31 | 2008 |
Access to Polycyclic Sulfonyl Indolines via Fe (II)-Catalyzed or UV-Driven Formal [2+ 2+ 1] Cyclization Reactions of N-((1H-indol-3-yl) methyl) propiolamides with NaHSO3 L Lu, C Luo, H Peng, H Jiang, M Lei, B Yin Organic letters 21 (8), 2602-2605, 2019 | 29 | 2019 |
Metal–Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst L Li, M Lei, L Liu, Y Xie, HF Schaefer III Inorganic chemistry 57 (15), 8778-8787, 2018 | 29 | 2018 |
DFT Study on the Mechanism of Tandem Oxidative Acetoxylation/Ortho C–H Activation/Carbocyclization Catalyzed by Pd(OAc)2 H Li, X Ma, B Zhang, M Lei Organometallics 35 (19), 3301-3310, 2016 | 28 | 2016 |
Substituent effects and chemoselectivity of the intramolecular Buchner reaction of diazoacetamide derivatives catalyzed by the di-Rh (II)-complex H Li, X Ma, M Lei Dalton Transactions 45 (20), 8506-8512, 2016 | 28 | 2016 |
Mechanism investigation of ketone hydrogenation catalyzed by ruthenium bifunctional catalysts: insights from a DFT study X Zhang, X Guo, Y Chen, Y Tang, M Lei, W Fang Physical Chemistry Chemical Physics 14 (17), 6003-6012, 2012 | 28 | 2012 |
A theoretical study of X ligand effect on catalytic activity of complexes RuHX (diamine)(PPh3) 2 (X= NCMe, CO, Cl, OMe, OPh, CCMe and H) in H 2-hydrogenation of ketones Z Chen, Y Chen, Y Tang, M Lei Dalton Transactions 39 (8), 2036-2043, 2010 | 28 | 2010 |
Molecular modeling and docking study on dopamine D2-like and serotonin 5-HT2A receptors X Duan, M Zhang, X Zhang, F Wang, M Lei Journal of Molecular Graphics and Modelling 57, 143-155, 2015 | 27 | 2015 |