Year |
Citation |
Score |
2014 |
Lian P, Guo HB, Riccardi D, Dong A, Parks JM, Xu Q, Pai EF, Miller SM, Wei DQ, Smith JC, Guo H. X-ray structure of a Hg2+ complex of mercuric reductase (MerA) and quantum mechanical/molecular mechanical study of Hg2+ transfer between the C-terminal and buried catalytic site cysteine pairs. Biochemistry. 53: 7211-22. PMID 25343681 DOI: 10.1021/Bi500608U |
0.357 |
|
2010 |
Saharay M, Guo H, Smith JC. Catalytic mechanism of cellulose degradation by a cellobiohydrolase, CelS. Plos One. 5: e12947. PMID 20967294 DOI: 10.1371/Journal.Pone.0012947 |
0.368 |
|
2009 |
Xu Q, Chu YZ, Guo HB, Smith JC, Guo H. Energy triplets for writing epigenetic marks: insights from QM/MM free-energy simulations of protein lysine methyltransferases. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 12596-9. PMID 19882600 DOI: 10.1002/Chem.200902297 |
0.326 |
|
2009 |
Parks JM, Guo H, Momany C, Liang L, Miller SM, Summers AO, Smith JC. Mechanism of Hg-C protonolysis in the organomercurial lyase MerB. Journal of the American Chemical Society. 131: 13278-85. PMID 19719173 DOI: 10.1021/Ja9016123 |
0.388 |
|
2003 |
Guo H, Cui Q, Lipscomb WN, Karplus M. Understanding the role of active-site residues in chorismate mutase catalysis from molecular-dynamics simulations. Angewandte Chemie (International Ed. in English). 42: 1508-11. PMID 12698486 DOI: 10.1002/Anie.200219878 |
0.509 |
|
2002 |
Cui Q, Guo H, Karplus M. Combining ab initio and density functional theories with semiempirical methods Journal of Chemical Physics. 117: 5617-5631. DOI: 10.1063/1.1501134 |
0.524 |
|
2001 |
Guo H, Cui Q, Lipscomb WN, Karplus M. Substrate conformational transitions in the active site of chorismate mutase: their role in the catalytic mechanism. Proceedings of the National Academy of Sciences of the United States of America. 98: 9032-7. PMID 11481470 DOI: 10.1073/Pnas.141230998 |
0.528 |
|
1994 |
Guo H, Karplus M. Solvent Influence on the Stability of the Peptide Hydrogen Bond: A Supramolecular Cooperative Effect The Journal of Physical Chemistry. 98: 7104-7105. DOI: 10.1021/J100080A002 |
0.386 |
|
1992 |
Guo H, Karplus M. Ab initio studies of hydrogen bonding of N-methylacetamide: structure, cooperativity, and internal rotational barriers The Journal of Physical Chemistry. 96: 7273-7287. DOI: 10.1021/J100197A027 |
0.429 |
|
1992 |
Guo H, Karplus M. Ab initio studies of methylated 1,3-butadienes Journal of Molecular Structure: Theochem. 260: 347-393. DOI: 10.1016/0166-1280(92)87055-5 |
0.408 |
|
1991 |
Guo H, Karplus M. Ab initio studies of polyenes. I. 1,3‐butadiene The Journal of Chemical Physics. 94: 3679-3699. DOI: 10.1063/1.459739 |
0.434 |
|
1989 |
Guo H, Karplus M. Basis set and polarization function effects on optimized geometries and harmonic frequencies at the second‐order Mo/ller–Plesset perturbation level The Journal of Chemical Physics. 91: 1719-1733. DOI: 10.1063/1.457079 |
0.415 |
|
1988 |
Guo H, Karplus M. Ab initio force field for the planar vibrations of benzene The Journal of Chemical Physics. 89: 4235-4245. DOI: 10.1063/1.454808 |
0.393 |
|
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