Authors: Lopez, X York, DM Dejaegere, A Karplus, M

Citation: X. Lopez et al., Theoretical studies on the hydrolysis of phosphate diesters in the gas phase, solution, and RNase A, INT J QUANT, 86(1), 2002, pp. 10-26

Authors: Lopez, X Dejaegere, A Karplus, M

Citation: X. Lopez et al., Solvent effects on the reaction coordinate of the hydrolysis of phosphatesand sulfates: Application of Hammond and anti-Hammond postulates to understand hydrolysis in solution, J AM CHEM S, 123(47), 2001, pp. 11755-11763

Authors: Reuter, N Dejaegere, A Maigret, B Karplus, M

Citation: N. Reuter et al., Frontier bonds in QM/MM methods: A comparison of different approaches, J PHYS CH A, 104(8), 2000, pp. 1720-1735

Authors: Atkinson, RA Kieffer, B Dejaegere, A Sirockin, F Lefevre, JF

Citation: Ra. Atkinson et al., Structural and dynamic characterization of omega-conotoxin MVIIA: The binding loop exhibits slow conformational exchange, BIOCHEM, 39(14), 2000, pp. 3908-3919

Authors: Lopez, X Dejaegere, A Karplus, M

Citation: X. Lopez et al., Mechanism of alkaline hydrolysis of cyclic and acyclic sulfates: An ab initio study with solvation correction, J AM CHEM S, 121(23), 1999, pp. 5548-5558