| scholarly article | Q13442814 |
| P50 | author | Gerardo Andrés Cisneros | Q42705793 |
| P2093 | author name string | Hao Hu | |
| Weitao Yang | |||
| Robin Chaudret | |||
| Pan Wu | |||
| Xiangqian Hu | |||
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| Mechanism of Cdc25B phosphatase with the small molecule substrate p-nitrophenyl phosphate from QM/MM-MFEP calculations. | Q37265822 | ||
| Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method | Q37330110 | ||
| A pseudobond parametrization for improved electrostatics in quantum mechanical/molecular mechanical simulations of enzymes | Q37330116 | ||
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| Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautomerase | Q44554799 | ||
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| Electrostatic interactions dominate the catalytic contribution of arg39 in 4-oxalocrotonate tautomerase | Q45093878 | ||
| Half-of-the-sites binding of reactive intermediates and their analogues to 4-oxalocrotonate tautomerase and induced structural asymmetry of the enzyme | Q46504015 | ||
| Theoretical and experimental determination on two substrates turned over by 4-oxalocrotonate tautomerase | Q46888619 | ||
| Quadratic string method for determining the minimum-energy path based on multiobjective optimization | Q46936491 | ||
| Quantum chemical modeling of enzymatic reactions: the case of 4-oxalocrotonate tautomerase | Q46975606 | ||
| Understanding the enzymatic activity of 4-oxalocrotonate tautomerase and its mutant analogues: a computational study. | Q52573868 | ||
| Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface. | Q53551886 | ||
| Substrate Orientation in 4-Oxalocrotonate Tautomerase and Its Effect on QM/MM Energy Profiles | Q57397917 | ||
| Kinetic, stereochemical, and structural effects of mutations of the active site arginine residues in 4-oxalocrotonate tautomerase | Q73011032 | ||
| P433 | issue | 23 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | protein-protein interaction | Q896177 |
| P304 | page(s) | 6889-6897 | |
| P577 | publication date | 2012-03-28 | |
| P1433 | published in | Journal of Physical Chemistry B | Q668669 |
| P1476 | title | Catalytic mechanism of 4-oxalocrotonate tautomerase: significances of protein-protein interactions on proton transfer pathways | |
| P478 | volume | 116 |
| Q47164878 | A half-site multimeric enzyme achieves its cooperativity without conformational changes |
| Q39463066 | Multiscale Quantum Mechanics/Molecular Mechanics Simulations with Neural Networks |
| Q37037749 | Noncovalent Interaction Analysis in Fluctuating Environments |
| Q36597422 | Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogs |
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