default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDJ. M. García de la Vega
Person information
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
2020 – today
- 2022
[j14]Ignacio Ema
, Guillermo Ramírez, Rafael López, José Manuel García de la Vega:
Generation of Basis Sets for Accurate Molecular Calculations: Application to Helium Atom and Dimer. Comput. 10(5): 65 (2022)- 2021
- [j13]Jesús San Fabián, Salama Omar, José Manuel García de la Vega:
Computational approaches to amino acid side-chain conformation using combined NMR theoretical and experimental results: leucine-67 in Desulfovibrio vulgaris flavodoxin. Briefings Bioinform. 22(5) (2021) - [j12]Jesús San Fabián, Ignacio Ema, Salama Omar, José Manuel García de la Vega:
Toward a Computational NMR Procedure for Modeling Dipeptide Side-Chain Conformation. J. Chem. Inf. Model. 61(12): 6012-6023 (2021)
2010 – 2019
- 2019
- [j11]Rafael López, Frank Martinez, Ignacio Ema, José Manuel García de la Vega, Guillermo Ramírez:
Efficient Evaluation of Molecular Electrostatic Potential in Large Systems. Comput. 7(4): 64 (2019) - [j10]Stephen J. Barigye, José Manuel García de la Vega, Juan A. Castillo-Garit:
Undersampling: case studies of flaviviral inhibitory activities. J. Comput. Aided Mol. Des. 33(11): 997-1008 (2019) - 2017
- [j9]Isabel Lage-Estebanez, Lourdes del Olmo, Rafael López, José Manuel García de la Vega:
The role of errors related to DFT methods in calculations involving ion pairs of ionic liquids. J. Comput. Chem. 38(8): 530-540 (2017) - 2016
- [j8]Karl Karu, Anton Ruzanov, Heigo Ers, Vladislav Ivanistsev, Isabel Lage-Estebanez, José Manuel García de la Vega:
Predictions of Physicochemical Properties of Ionic Liquids with DFT. Comput. 4(3): 25 (2016) - [j7]Oscar Miguel Rivera-Borroto, José Manuel García de la Vega, Yovani Marrero-Ponce, Ricardo Grau:
Relational Agreement Measures for Similarity Searching of Cheminformatic Data Sets. IEEE ACM Trans. Comput. Biol. Bioinform. 13(1): 158-167 (2016) - 2013
- [j6]Erix Wiliam Hernández-Rodríguez, Ana Lilian Montero-Alejo, Rafael López, Elsa Sánchez-García, Luis Alberto Montero-Cabrera, José Manuel García de la Vega:
Electron density deformations provide new insights into the spectral shift of rhodopsins. J. Comput. Chem. 34(28): 2460-2471 (2013) - 2011
- [j5]Oscar Miguel Rivera-Borroto, Yovani Marrero-Ponce, José Manuel García de la Vega, Ricardo del Corazón Grau-Ábalo:
Comparison of Combinatorial Clustering Methods on Pharmacological Data Sets Represented by Machine Learning-Selected Real Molecular Descriptors. J. Chem. Inf. Model. 51(12): 3036-3049 (2011)
2000 – 2009
- 2008
- [j4]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:
Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids. J. Comput. Chem. 29(3): 317-333 (2008) - 2007
- [j3]V. R. Ferro, Rafael López, Salama Omar, J. M. García de la Vega:
On the molecular electron structure of three phosphinine-containing macrocycles. J. Comput. Chem. 28(5): 958-966 (2007) - 2003
- [j2]Ignacio Ema, J. M. García de la Vega, Guillermo Ramírez, Rafael López, Jaime Fernández Rico, H. Meissner, J. Paldus:
Polarized basis sets of Slater-type orbitals: H to Ne atoms. J. Comput. Chem. 24(7): 859-868 (2003) - 2001
- [j1]L. A. Poveda, V. R. Ferro, J. M. García de la Vega, Raúl H. González-Jonte:
A theoretical approach to the influence of the macrocycle conformation on the molecular electronic structure in Mg-porphyrins. J. Comput. Aided Mol. Des. 15(2): 183-193 (2001)
Coauthor Index
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from 
to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the 
of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from 
, 
, and 
to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from 
.
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2024-04-24 23:20 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by:
