Ming Lei
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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
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
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
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
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
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
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
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
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
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
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
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
Intrinsic versus mutation dependent instability/flexibility: a comparative analysis of the structure and dynamics of wild-type transthyretin and its pathogenic variants
M Lei, M Yang, S Huo
Journal of structural biology 148 (2), 153-168, 2004
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
Mechanism and influence of acid in hydrogenation of ketones by η6-arene/N-tosylethylenediamine ruthenium (II)
Y Chen, Y Tang, S Liu, M Lei, W Fang
Organometallics 28 (7), 2078-2084, 2009
Peptide plane can flip in two opposite directions: Implication in amyloid formation of transthyretin
M Yang, M Lei, B Yordanov, S Huo
The Journal of Physical Chemistry B 110 (12), 5829-5833, 2006
Ditantalum Dinitrogen Complex: Reaction of H2 Molecule with “End-on-Bridged”[TaIV] 2 (μ-η1: η1-N2) and Bis (μ-nitrido)[TaV] 2 (μ-N) 2 Complexes
W Zhang, Y Tang, M Lei, K Morokuma, DG Musaev
Inorganic chemistry 50 (19), 9481-9490, 2011
Molecular dynamics studies of the antimicrobial peptides piscidin 1 and its mutants with a DOPC lipid bilayer
T Yuan, X Zhang, Z Hu, F Wang, M Lei
Biopolymers 97 (12), 998-1009, 2012
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, 2019
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
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