검색결과 : 12건
| No. | Article |
|---|---|
| 1 |
Ligand-Dependent Sodium Ion Dynamics within the A(2A) Adenosine Receptor: A Molecular Dynamics Study Hu XH, Smith MD, Humphreys BM, Green AT, Parks JM, Baudry JY, Smith JC Journal of Physical Chemistry B, 123(38), 7947, 2019 |
| 2 |
Quantum Chemical Calculation of pK(a)s of Environmentally Relevant Functional Groups: Carboxylic Acids, Amines, and Thiols in Aqueous Solution Lian P, Johnston RC, Parks JM, Smith JC Journal of Physical Chemistry A, 122(17), 4366, 2018 |
| 3 |
Toward Quantitatively Accurate Calculation of the Redox-Associated Acid-Base and Ligand Binding Equilibria of Aquacobalamin Johnston RC, Zhou J, Smith JC, Parks JM Journal of Physical Chemistry B, 120(30), 7307, 2016 |
| 4 |
Mercury Methylation by HgcA: Theory Supports Carbanion Transfer to Hg(II) Zhou J, Riccardi D, Beste A, Smith JC, Parks JM Inorganic Chemistry, 53(2), 772, 2014 |
| 5 |
Chemical Factors that Control Lignin Polymerization Sangha AK, Davison BH, Standaert RF, Davis MF, Smith JC, Parks JM Journal of Physical Chemistry B, 118(1), 164, 2014 |
| 6 |
Hydrolysis of DFP and the Nerve Agent (S)-Sarin by DFPase Proceeds along Two Different Reaction Pathways: Implications for Engineering Bioscavengers Wymore T, Field MJ, Langan P, Smith JC, Parks JM Journal of Physical Chemistry B, 118(17), 4479, 2014 |
| 7 |
The Genetic Basis for Bacterial Mercury Methylation Parks JM, Johs A, Podar M, Bridou R, Hurt RA, Smith SD, Tomanicek SJ, Qian Y, Brown SD, Brandt CC, Palumbo AV, Smith JC, Wall JD, Elias DA, Liang LY Science, 339(6125), 1332, 2013 |
| 8 |
Benchmark Interaction Energies for Biologically Relevant Noncovalent Complexes Containing Divalent Sulfur Mintz BJ, Parks JM Journal of Physical Chemistry A, 116(3), 1086, 2012 |
| 9 |
Radical Coupling Reactions in Lignin Synthesis: A Density Functional Theory Study Sangha AK, Parks JM, Standaert RF, Ziebell A, Davis M, Smith JC Journal of Physical Chemistry B, 116(16), 4760, 2012 |
| 10 |
Mechanism of Cdc25B Phosphatase with the Small Molecule Substrate p-Nitrophenyl Phosphate from QM/MM-MFEP Calculations Parks JM, Hu H, Rudolph J, Yang WT Journal of Physical Chemistry B, 113(15), 5217, 2009 |