Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Dimas Suarez"'
Autor:
Natalia Díaz, Dimas Suarez
Publikováno v:
Journal of Chemical Theory and Computation. 18:7166-7178
The absolute entropy of a flexible molecule can be approximated by the sum of a rigid-rotor-harmonic-oscillator (RRHO) entropy and a Gibbs-Shannon entropy associated to the Boltzmann distribution for the occupation of the conformational energy levels
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::12ca2775de45ae910bdec78f76574d9e
https://doi.org/10.1021/acs.jctc.2c00858
https://doi.org/10.1021/acs.jctc.2c00858
Autor:
Natalia Díaz, Dimas Suarez
Publikováno v:
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
We acknowledge the financial support by FICyT (IDI/2018/000177, Asturias, Spain) co-financed by FEDER funds, and by MICIU (PGC2018-095953-B-100, Spain).
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2383e0f21f7c6fb8f1c8c8dc59191b78
http://hdl.handle.net/10651/65054
http://hdl.handle.net/10651/65054
Publikováno v:
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
The interacting quantum atoms (IQA) method decomposes the quantum mechanical (QM) energy of a molecular system in terms of one- and two-center (atomic) contributions within the context of the quantum theory of atoms in molecules. Here, we demonstrate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::99516e3b8616db8cc0b839eace4ebdf5
http://hdl.handle.net/10651/65088
http://hdl.handle.net/10651/65088
Autor:
Francisco Miguel, Izquierdo-García, Elena, Reimunde-Seoane, Ana, González Medina, Fructuoso, García Díez, Dimas, Suarez-Vilela, Teresa, Ribas-Ariño, Manuel, Roa-Luzuriaga
Publikováno v:
Archivos espanoles de urologia. 58(9)
To report three cases of atherosclerotic embolic vascular disease with clinical presentation in the lower urinary tract. This disease is not frequent; it mainly affects the skin, kidneys and skeletal muscle. Other organs of the urinary tract are rare
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::3c86abf622f29055e9dbb004a9e518ca
https://pubmed.ncbi.nlm.nih.gov/16430035
https://pubmed.ncbi.nlm.nih.gov/16430035
Publikováno v:
Journal of computational chemistry. 25(14)
Recent studies have shown that semiempirical methods (e.g., PM3 and AM1) for zinc-containing compounds are unreliable for modeling structures containing zinc ions with ligand environments similar to those observed in zinc metalloenzymes. To correct t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d0208051813d53733d7b00753c9bccd
https://pubmed.ncbi.nlm.nih.gov/15362125
https://pubmed.ncbi.nlm.nih.gov/15362125
Autor:
Clara, Bueno, Julia, Almeida, Paulo, Lucio, Josefa, Marco, Raimundo, Garcia, Jose Maria, de Pablos, Antonio, Parreira, Fernando, Ramos, Francisco, Ruiz-Cabello, Dimas, Suarez-Vilela, Jesus F, San Miguel, Alberto, Orfao
Publikováno v:
Haematologica. 89(1)
Recent reports suggest that CD4(+)/CD56(+)/lineage(-) hematopoietic neoplasias are aggressive types of malignancies involving lymphoplasmacytoid/DC2 dendritic cells (DC). Here, we report on the incidence of DC malignancies and their clinical, biologi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::c9a4a366cc7cd772226fd00b07464588
https://pubmed.ncbi.nlm.nih.gov/14754607
https://pubmed.ncbi.nlm.nih.gov/14754607
Publikováno v:
Biochemistry. 41(21)
Herein, we report quantum chemical calculations and molecular dynamics (MD) simulations of the dinuclear form of the Bacteroides fragilis zinc beta-lactamase. We studied four different configurations which differ in the protonation state of the Asp10
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::97f119bead148e209183cf23c58075bc
https://pubmed.ncbi.nlm.nih.gov/12022865
https://pubmed.ncbi.nlm.nih.gov/12022865
Publikováno v:
International Journal of Dermatology. 32:363-364
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ec07ebb442655d934065ff3cc20b603
https://doi.org/10.1111/j.1365-4362.1993.tb01475.x
https://doi.org/10.1111/j.1365-4362.1993.tb01475.x
Publikováno v:
Virchows Archiv: European Journal of Pathology; Sep2006, Vol. 449 Issue 3, p385-388, 4p
Autor:
Dimas Suárez-Vilela, Francisco Izquierdo-García, Francisco Domínguez-Iglesias, Jose Ramón Méndez-Álvarez
Publikováno v:
Case Reports in Dermatology, Vol 2, Iss 2, Pp 69-75 (2010)
We describe a case of papillated Bowen disease (PBD), associated with a clear cell atypical fibroxanthoma (CCAFXA). The epidermal lesion showed a bowenoid papillomatous growth pattern with histologic features suggestive of infection by human papillom
Externí odkaz:
https://doaj.org/article/6b7c1bf51b6145fb9f7695c294529437