Luis Fernández Pacios

发表

Structures and thermodynamics of biphenyl dihydrodiol stereoisomers and their metabolites in the enzymatic degradation of arene xenobiotics

Luis Fernández Pacios, Víctor M. Campos, Irene Merino, 2009, J. Comput. Chem..

Rendering of Ray-traced Images of Molecular Models on Personal Computers

Luis Fernández Pacios, L. Pacios, 1997, Comput. Chem..

Radial behavior of gradient expansion approximation to atomic Fukui function and shell structure of atoms

Luis Fernández Pacios, Pedro C. Gómez, L. Pacios, 1998, J. Comput. Chem..

Check Den: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density

Luis Fernández Pacios, L. Pacios, 2003, Comput. Biol. Chem..

Variation of atomic charges on proton transfer in strong hydrogen bonds: The case of anionic and neutral imidazole–acetate complexes

Luis Fernández Pacios, Pedro C. Gómez, Oscar Gálvez, 2006, J. Comput. Chem..

Intramolecular interactions and intramolecular hydrogen bonding in conformers of gaseous glycine

Luis Fernández Pacios, Pedro C. Gómez, L. Pacios, 2001, J. Comput. Chem..

Computational study of the process of hydrogen bond breaking: The case of the formamide–formic acid complex

Luis Fernández Pacios, L. Pacios, 2006, J. Comput. Chem..

Computational study of pH-dependent oligomerization and ligand binding in Alt a 1, a highly allergenic protein with a unique fold

Luis Fernández Pacios, María Garrido-Arandia, Jorge Bretones, 2016, Journal of Computer-Aided Molecular Design.

ARVOMOL/CONTOUR: Molecular Surface Areas and Volumes on Personal Computers

Luis Fernández Pacios, L. Pacios, 1994, Comput. Chem..

Characterization of two types of intermolecular interactions on halogen monoxide monohydrates

Luis Fernández Pacios, Pedro C. Gómez, Oscar Gálvez, 2009, J. Comput. Chem..

Computational study of ligand binding in lipid transfer proteins: Structures, interfaces, and free energies of protein‐lipid complexes

Luis Fernández Pacios, Cristina Gómez-Casado, Araceli Díaz-Perales, 2012, J. Comput. Chem..

Distinct Molecular Surfaces and Hydrophobicity of Amino Acid Residues in Proteins

Luis Fernández Pacios, L. Pacios, 2001, J. Chem. Inf. Comput. Sci..

Machine Learning of Analytical Electron Density in Large Molecules Through Message-Passing

Luis Fernández Pacios, Bruno Cuevas-Zuviría, L. Pacios, 2021, J. Chem. Inf. Model..