Year |
Citation |
Score |
2015 |
Fang B, Hou G, Zi G, Fang DC, Walter MD. A thorium metallacyclopentadiene complex: a combined experimental and computational study. Dalton Transactions (Cambridge, England : 2003). 44: 7927-34. PMID 25824523 DOI: 10.1039/C5Dt00838G |
0.337 |
|
2015 |
Fang B, Zhang L, Hou G, Zi G, Fang DC, Walter MD. Experimental and Computational Studies on an Actinide Metallacyclocumulene Complex Organometallics. 34: 5669-5681. DOI: 10.1021/Acs.Organomet.5B00923 |
0.393 |
|
2013 |
Hou G, Cui Q. Stabilization of different types of transition states in a single enzyme active site: QM/MM analysis of enzymes in the alkaline phosphatase superfamily. Journal of the American Chemical Society. 135: 10457-69. PMID 23786365 DOI: 10.1021/Ja403293D |
0.439 |
|
2012 |
Hou G, Zhu X, Elstner M, Cui Q. A modified QM/MM Hamiltonian with the Self-Consistent-Charge Density-Functional-Tight-Binding Theory for highly charged QM regions. Journal of Chemical Theory and Computation. 8: 4293-4304. PMID 23275762 DOI: 10.1021/Ct300649F |
0.528 |
|
2012 |
Hou G, Cui Q. QM/MM analysis suggests that Alkaline Phosphatase (AP) and nucleotide pyrophosphatase/phosphodiesterase slightly tighten the transition state for phosphate diester hydrolysis relative to solution: implication for catalytic promiscuity in the AP superfamily. Journal of the American Chemical Society. 134: 229-46. PMID 22097879 DOI: 10.1021/Ja205226D |
0.463 |
|
2012 |
Riccardi D, Zhu X, Goyal P, Yang S, Hou G, Cui Q. Toward molecular models of proton pumping: Challenges, methods and relevant applications Science China Chemistry. 55: 3-18. DOI: 10.1007/S11426-011-4458-9 |
0.563 |
|
2010 |
Yi C, Jia G, Hou G, Dai Q, Zhang W, Zheng G, Jian X, Yang CG, Cui Q, He C. Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature. 468: 330-3. PMID 21068844 DOI: 10.1038/Nature09497 |
0.407 |
|
2010 |
Hou G, Zhu X, Cui Q. An implicit solvent model for SCC-DFTB with Charge-Dependent Radii. Journal of Chemical Theory and Computation. 6: 2303-2314. PMID 20711513 DOI: 10.1021/Ct1001818 |
0.535 |
|
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