Luis Fernández Pacios

17 papers Journal 17

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