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ORCIDLuis Fernández Pacios
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2020 – today
- 2021
[j17]Bruno Cuevas-Zuviría, Luis Fernández Pacios
:
Machine Learning of Analytical Electron Density in Large Molecules Through Message-Passing. J. Chem. Inf. Model. 61(6): 2658-2666 (2021)- 2020
- [j16]Bruno Cuevas-Zuviría, Luis Fernández Pacios:
Analytical Model of Electron Density and Its Machine Learning Inference. J. Chem. Inf. Model. 60(8): 3831-3842 (2020)
2010 – 2019
- 2016
- [j15]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): 365-379 (2016) - 2012
- [j14]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): 1831-1844 (2012) - 2011
- [j13]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): 1465-1473 (2011)
2000 – 2009
- 2009
- [j12]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): 2420-2432 (2009) - [j11]Oscar Gálvez, Pedro C. Gómez, Luis Fernández Pacios:
Characterization of two types of intermolecular interactions on halogen monoxide monohydrates. J. Comput. Chem. 30(15): 2538-2549 (2009) - 2006
- [j10]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): 1641-1649 (2006) - [j9]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): 1650-1661 (2006) - 2003
- [j8]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): 197-209 (2003) - 2001
- [j7]Luis Fernández Pacios, Pedro C. Gómez:
Intramolecular interactions and intramolecular hydrogen bonding in conformers of gaseous glycine. J. Comput. Chem. 22(7): 702-716 (2001) - [j6]Luis Fernández Pacios:
Distinct Molecular Surfaces and Hydrophobicity of Amino Acid Residues in Proteins. J. Chem. Inf. Comput. Sci. 41(5): 1427-1435 (2001)
1990 – 1999
- 1998
- [j5]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): 488-503 (1998) - 1997
- [j4]Luis Fernández Pacios:
Rendering of Ray-traced Images of Molecular Models on Personal Computers. Comput. Chem. 21(1): 25-34 (1997) - 1995
- [j3]Luis Fernández Pacios:
Atomic Radii Scales and Electron Properties Deduced from the Charge Density. J. Comput. Chem. 16(2): 133-145 (1995) - 1994
- [j2]Luis Fernández Pacios:
ARVOMOL/CONTOUR: Molecular Surface Areas and Volumes on Personal Computers. Comput. Chem. 18(4): 377-385 (1994) - 1993
- [j1]Luis Fernández Pacios:
Analytical density-dependent representation of Hartree - Fock atomic potentials. J. Comput. Chem. 14(4): 410-421 (1993)
Coauthor Index
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