Authors:
Pitarch, J
Pascual-Ahuir, JL
Silla, E
Tunon, I
Citation: J. Pitarch et al., A quantum mechanics/molecular mechanics study of the acylation reaction ofTEM1 beta-lactamase and penicillanate, J CHEM S P2, 4, 2000, pp. 761-767
Authors:
Pitarch, J
Pascual-Ahuir, JL
Silla, E
Tunon, I
Ruiz-Lopez, MF
Millot, C
Bertran, J
Citation: J. Pitarch et al., Molecular dynamics simulation in aqueous solution of N-methylazetidinone as a model of beta-lactam antibiotics, THEOR CH AC, 101(5), 1999, pp. 336-342
Authors:
Pitarch, J
Pascual-Ahuir, JL
Silla, E
Tunon, I
Moliner, V
Citation: J. Pitarch et al., Analysis of a concerted mechanism in beta-lactam enzymatic hydrolysis. A quantum mechanics/molecular mechanics study, J CHEM S P2, (7), 1999, pp. 1351-1356
Authors:
Pitarch, J
Pascual-Ahuir, JL
Silla, E
Tunon, I
Ruiz-Lopez, MF
Citation: J. Pitarch et al., Modeling beta-lactam interactions in aqueous solution through combined quantum mechanics-molecular mechanics methods, J COMPUT CH, 20(13), 1999, pp. 1401-1411
Authors:
Scharlin, P
Battino, R
Silla, E
Tunon, I
Pascual-Ahuir, JL
Citation: P. Scharlin et al., Solubility of gases in water: Correlation between solubility and the number of water molecules in the first solvation shell, PUR A CHEM, 70(10), 1998, pp. 1895-1904