Luis Fernández Pacios
Orcid: 0000-0002-0585-4289
According to our database1,
Luis Fernández Pacios
authored at least 17 papers
between 1993 and 2021.
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Bibliography
2021
Machine Learning of Analytical Electron Density in Large Molecules Through Message-Passing.
J. Chem. Inf. Model., 2021
2020
J. Chem. Inf. Model., 2020
2016
Computational study of pH-dependent oligomerization and ligand binding in Alt a 1, a highly allergenic protein with a unique fold.
J. Comput. Aided Mol. Des., 2016
2012
Computational study of ligand binding in lipid transfer proteins: Structures, interfaces, and free energies of protein-lipid complexes.
J. Comput. Chem., 2012
2011
LocaPep: Localization of Epitopes on Protein Surfaces Using Peptides from Phage Display Libraries.
J. Chem. Inf. Model., 2011
2009
Structures and thermodynamics of biphenyl dihydrodiol stereoisomers and their metabolites in the enzymatic degradation of arene xenobiotics.
J. Comput. Chem., 2009
Characterization of two types of intermolecular interactions on halogen monoxide monohydrates.
J. Comput. Chem., 2009
2006
Variation of atomic charges on proton transfer in strong hydrogen bonds: The case of anionic and neutral imidazole-acetate complexes.
J. Comput. Chem., 2006
Computational study of the process of hydrogen bond breaking: The case of the formamide-formic acid complex.
J. Comput. Chem., 2006
2003
Check Den: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density.
Comput. Biol. Chem., 2003
2001
J. Chem. Inf. Comput. Sci., 2001
Intramolecular interactions and intramolecular hydrogen bonding in conformers of gaseous glycine.
J. Comput. Chem., 2001
1998
Radial behavior of gradient expansion approximation to atomic Fukui function and shell structure of atoms.
J. Comput. Chem., 1998
1997
Comput. Chem., 1997
1995
J. Comput. Chem., 1995
1994
Comput. Chem., 1994
1993
J. Comput. Chem., 1993