검색결과 : 16건
| No. | Article |
|---|---|
| 1 |
Solvent and protein effects on the vibrational frequency shift and energy relaxation of the azide ligand in carbonic anhydrase Garcia-Viloca M, Nam K, Alhambra C, Gao JL Journal of Physical Chemistry B, 108(35), 13501, 2004 |
| 2 |
Quantum mechanical tunneling in methylamine dehydrogenase (vol 347, pg 512, 2001) Alhambra C, Sanchez ML, Corchado JC, Gao J, Truhlar DG Chemical Physics Letters, 355(3-4), 388, 2002 |
| 3 |
Quantum dynamics of hydride transfer catalyzed by bimetallic electrophilic catalysis: Synchronous motion of Mg2+ and H- in xylose isomerase Garcia-Viloca M, Alhambra C, Truhlar DG, Gao JL Journal of the American Chemical Society, 124(25), 7268, 2002 |
| 4 |
Quantum mechanical tunneling in methylamine dehydrogenase Alhambra C, Sanchez ML, Corchado J, Gao JL, Truhlar DG Chemical Physics Letters, 347(4-6), 512, 2001 |
| 5 |
Inclusion of quantum-mechanical vibrational energy in reactive potentials of mean force Garcia-Viloca M, Alhambra C, Truhlar DG, Gao J Journal of Chemical Physics, 114(22), 9953, 2001 |
| 6 |
Canonical variational theory for enzyme kinetics with the protein mean force and multidimensional quantum mechanical tunneling dynamics. Theory and application to liver alcohol dehydrogenase Alhambra C, Corchado J, Sanchez ML, Garcia-Viloca M, Gao J, Truhlar DG Journal of Physical Chemistry B, 105(45), 11326, 2001 |
| 7 |
Quantum dynamics of hydride transfer in enzyme catalysis Alhambra C, Corchado JC, Sanchez ML, Gao JL, Truhlar DG Journal of the American Chemical Society, 122(34), 8197, 2000 |
| 8 |
Quantum mechanical dynamical effects in an enzyme-catalyzed proton transfer reaction Alhambra C, Gao JL, Corchado JC, Villa J, Truhlar DG Journal of the American Chemical Society, 121(10), 2253, 1999 |
| 9 |
Experimental charge densities and intermolecular interactions: Electrostatic and topological analysis of DL-histidine Coppens P, Abramov Y, Carducci M, Korjov B, Novozhilova I, Alhambra C, Pressprich MR Journal of the American Chemical Society, 121(11), 2585, 1999 |
| 10 |
A generalized hybrid orbital (GHO) method for the treatment of boundary atoms in combined QM/MM calculations Gao JL, Amara P, Alhambra C, Field MJ Journal of Physical Chemistry A, 102(24), 4714, 1998 |