F. Javier Luque

Perspective on "Electrostatic interactions of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects"

F. Javier Luque, Josep Maria López, Modesto Orozco · Theoretical Chemistry Accounts · 2000 · 783 citations

Natural Sciences, Chemistry, Computational Chemistry +16

MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories

Peter Schmidtke, Axel Bidon‐Chanal, F. Javier Luque et al. · Bioinformatics · 2011 · 391 citations · Full text

Life Sciences, Bioinformatics, Biophysics +17

Tautomerism and Protonation of Guanine and Cytosine. Implications in the Formation of Hydrogen-Bonded Complexes

Carles Colominas, F. Javier Luque, Modesto Orozco · Journal of the American Chemical Society · 1996 · 330 citations

Life Sciences, Chemistry, Computational Chemistry +16

Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters

Marie Zgarbová, F. Javier Luque, Thomas E. Cheatham et al. · Journal of Chemical Theory and Computation · 2013 · 283 citations

Natural Sciences, Biochemistry, Biophysics +17

Is polarization important in cation-π interactions?

Elena Cubero, F. Javier Luque, Modesto Orozco · Proceedings of the National Academy of Sciences · 1998 · 262 citations

Natural Sciences, Chemistry, Physics +17