J. M. García de la Vega

According to our database, J. M. García de la Vega authored at least 14 papers between 2001 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2022

Generation of Basis Sets for Accurate Molecular Calculations: Application to Helium Atom and Dimer.

Ignacio Ema, Guillermo Ramírez, Rafael López, José Manuel García de la Vega

Comput., 2022

2021

Toward a Computational NMR Procedure for Modeling Dipeptide Side-Chain Conformation.

Jesús San Fabián, Ignacio Ema, Salama Omar, José Manuel García de la Vega

J. Chem. Inf. Model., 2021

Computational approaches to amino acid side-chain conformation using combined NMR theoretical and experimental results: leucine-67 in Desulfovibrio vulgaris flavodoxin.

Jesús San Fabián, Salama Omar, José Manuel García de la Vega

Briefings Bioinform., 2021

2019

Undersampling: case studies of flaviviral inhibitory activities.

Stephen J. Barigye, José Manuel García de la Vega, Juan A. Castillo-Garit

J. Comput. Aided Mol. Des., 2019

Efficient Evaluation of Molecular Electrostatic Potential in Large Systems.

Rafael López, Frank Martinez, Ignacio Ema, José Manuel García de la Vega, Guillermo Ramírez

Comput., 2019

2017

The role of errors related to DFT methods in calculations involving ion pairs of ionic liquids.

Isabel Lage-Estebanez, Lourdes del Olmo, Rafael López, José Manuel García de la Vega

J. Comput. Chem., 2017

2016

Relational Agreement Measures for Similarity Searching of Cheminformatic Data Sets.

Oscar Miguel Rivera-Borroto, José Manuel García de la Vega, Yovani Marrero-Ponce, Ricardo Grau

IEEE ACM Trans. Comput. Biol. Bioinform., 2016

Predictions of Physicochemical Properties of Ionic Liquids with DFT.

Karl Karu, Anton Ruzanov, Heigo Ers, Vladislav Ivanistsev, Isabel Lage-Estebanez, José Manuel García de la Vega

Comput., 2016

2013

Electron density deformations provide new insights into the spectral shift of rhodopsins.

Erix Wiliam Hernández-Rodríguez, Ana Lilian Montero-Alejo, Rafael López, Elsa Sánchez-García, Luis Alberto Montero-Cabrera, José Manuel García de la Vega

J. Comput. Chem., 2013

2011

Comparison of Combinatorial Clustering Methods on Pharmacological Data Sets Represented by Machine Learning-Selected Real Molecular Descriptors.

Oscar Miguel Rivera-Borroto, Yovani Marrero-Ponce, José Manuel García de la Vega, Ricardo del Corazón Grau-Ábalo

J. Chem. Inf. Model., 2011

2008

Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids.

Yoanna María Alvarez-Ginarte, Yovani Marrero-Ponce, José Alberto Ruiz-García, Luis Alberto Montero-Cabrera, José Manuel García de la Vega, Pedro Noheda Marin, Rachel Crespo-Otero, Francisco Torrens Zaragoza, Ramón García-Domenech

J. Comput. Chem., 2008

2007

On the molecular electron structure of three phosphinine-containing macrocycles.

V. R. Ferro, Rafael López, Salama Omar, J. M. García de la Vega

J. Comput. Chem., 2007

2003

Polarized basis sets of Slater-type orbitals: H to Ne atoms.

Ignacio Ema, J. M. García de la Vega, Guillermo Ramírez, Rafael López, Jaime Fernández Rico, H. Meissner, J. Paldus

J. Comput. Chem., 2003

2001

A theoretical approach to the influence of the macrocycle conformation on the molecular electronic structure in Mg-porphyrins.

L. A. Poveda, V. R. Ferro, J. M. García de la Vega, Raúl H. González-Jonte

J. Comput. Aided Mol. Des., 2001