M. F. Ruiz-L�pez

A coupled density functional-molecular mechanics Monte Carlo simulation method: The water molecule in liquid water

I�aki Tu��n, Marilia T. C. Martins‐Costa, Claude Millot et al. · Journal of Computational Chemistry · 1996 · 124 citations

Engineering, Computational Chemistry, Chemistry +18

Insights in the Peptide Hydrolysis Mechanism by Thermolysin: A Theoretical QM/MM study

Serge Antonczak, Gérald Monard, M. F. Ruiz-L�pez et al. · Journal of Molecular Modeling · 2000 · 93 citations

Protein Chemistry, Biochemistry, Protein Folding +6

Improving description of hydrogen bonds at the semiempirical level: water-water interactions as test case

Margarita I. Bernal‐Uruchurtu, Marilia T. C. Martins‐Costa, Claude Millot et al. · Journal of Computational Chemistry · 2000 · 68 citations

Computation of hydration free energies using a parameterized continuum model: Study of equilibrium geometries and reactive processes in water solution

I�aki Tu��n, M. F. Ruiz-L�pez, Daniel Rinaldi et al. · Journal of Computational Chemistry · 1996 · 50 citations

Engineering, Total Free Energy, Computational Chemistry +22

Water dimer in liquid water

J. Bertrán, M. F. Ruiz-L�pez, D. Rinaldi et al. · Theoretical Chemistry Accounts · 1992 · 38 citations

Liquid-liquid Flow, Fluid Mechanics, Chemistry +2