Luis Fernández Pacios

Publication Activity (10 Years)

Years Active: 1993-2021
Publications (10 Years): 3

Top Topics

Sum Product Algorithm

Subcellular Localization

Analytical Models

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

Bruno Cuevas-Zuviría, Luis Fernández Pacios
Machine Learning of Analytical Electron Density in Large Molecules Through Message-Passing. J. Chem. Inf. Model. 61 (6) (2021)
Bruno Cuevas-Zuviría, Luis Fernández Pacios
Analytical Model of Electron Density and Its Machine Learning Inference. J. Chem. Inf. Model. 60 (8) (2020)
María Garrido-Arandia, Jorge Bretones, Cristina Gómez-Casado, Nuria Cubells, Araceli Díaz-Perales, Luis Fernández Pacios
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. 30 (5) (2016)
Luis Fernández Pacios, Cristina Gómez-Casado, Leticia Tordesillas, Arantxa Palacín, Rosa Sánchez-Monge, Araceli Díaz-Perales
Computational study of ligand binding in lipid transfer proteins: Structures, interfaces, and free energies of protein-lipid complexes. J. Comput. Chem. 33 (22) (2012)
Luis Fernández Pacios, Leticia Tordesillas, Arantxa Palacín, Rosa Sánchez-Monge, Gabriel Salcedo, Araceli Díaz-Perales
LocaPep: Localization of Epitopes on Protein Surfaces Using Peptides from Phage Display Libraries. J. Chem. Inf. Model. 51 (6) (2011)
Luis Fernández Pacios, Víctor M. Campos, Irene Merino, Luis Gómez
Structures and thermodynamics of biphenyl dihydrodiol stereoisomers and their metabolites in the enzymatic degradation of arene xenobiotics. J. Comput. Chem. 30 (15) (2009)
Oscar Gálvez, Pedro C. Gómez, Luis Fernández Pacios
Characterization of two types of intermolecular interactions on halogen monoxide monohydrates. J. Comput. Chem. 30 (15) (2009)
Luis Fernández Pacios, Pedro C. Gómez, Oscar Gálvez
Variation of atomic charges on proton transfer in strong hydrogen bonds: The case of anionic and neutral imidazole-acetate complexes. J. Comput. Chem. 27 (14) (2006)
Luis Fernández Pacios
Computational study of the process of hydrogen bond breaking: The case of the formamide-formic acid complex. J. Comput. Chem. 27 (14) (2006)
Luis Fernández Pacios
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. 27 (3) (2003)
Luis Fernández Pacios
Distinct Molecular Surfaces and Hydrophobicity of Amino Acid Residues in Proteins. J. Chem. Inf. Comput. Sci. 41 (5) (2001)
Luis Fernández Pacios, Pedro C. Gómez
Intramolecular interactions and intramolecular hydrogen bonding in conformers of gaseous glycine. J. Comput. Chem. 22 (7) (2001)
Luis Fernández Pacios, Pedro C. Gómez
Radial behavior of gradient expansion approximation to atomic Fukui function and shell structure of atoms. J. Comput. Chem. 19 (5) (1998)
Luis Fernández Pacios
Rendering of Ray-traced Images of Molecular Models on Personal Computers. Comput. Chem. 21 (1) (1997)
Luis Fernández Pacios
Atomic Radii Scales and Electron Properties Deduced from the Charge Density. J. Comput. Chem. 16 (2) (1995)
Luis Fernández Pacios
ARVOMOL/CONTOUR: Molecular Surface Areas and Volumes on Personal Computers. Comput. Chem. 18 (4) (1994)
Luis Fernández Pacios
Analytical density-dependent representation of Hartree - Fock atomic potentials. J. Comput. Chem. 14 (4) (1993)