Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Alexander Pérez de la Luz"'
Autor:
Misaela, Francisco-Márquez, Alexander, Pérez de la Luz, Catalina, Soriano-Correa, Carolina, Barrientos-Salcedo, Ignacio, Sainz-Díaz C.
Publikováno v:
In Journal of Molecular Structure 15 February 2022 1250 Part 1
Publikováno v:
Journal of Pharmaceutical Sciences. 112:798-807
Capsaicin is the main compound responsible of the hot sense of the chili fruits. This compound has interesting therapeutic properties including anticancer, anti-inflammatory effects, and analgesic. However, its use has several secondary effects, such
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0da6bdec5467696095cadc79e170bd2c
https://doi.org/10.1016/j.xphs.2022.10.024
https://doi.org/10.1016/j.xphs.2022.10.024
Autor:
Mariana Pires Figueiredo, Ana Borrego-Sánchez, Carlos Pimentel, Alexander Pérez de la Luz, César Viseras, C. Ignacio Sainz-Díaz
Publikováno v:
Journal of Pharmaceutical Sciences. 111:2369-2377
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::80a05abd0220fe43fbebe1da4ba7efe3
https://doi.org/10.1016/j.xphs.2022.05.012
https://doi.org/10.1016/j.xphs.2022.05.012
Autor:
Alexander Pérez de la Luz, Catalina Soriano-Correa, Misaela Francisco-Márquez, Carolina Barrientos-Salcedo, Alfonso Hernández-Laguna, Claro Ignacio Sainz-Diaz
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4fe1727b4e6214a88f6038db255e0149
https://doi.org/10.2139/ssrn.4377431
https://doi.org/10.2139/ssrn.4377431
Autor:
C. Ignacio Sainz-Díaz, Alexander Pérez de la Luz, Carolina Barrientos-Salcedo, Misaela Francisco-Márquez, Catalina Soriano-Correa
Publikováno v:
Journal of computer-aided molecular design. 36(7)
Sulfonamides are an important class of therapeutic agents. The increase in the number of new sulfonamide derivatives makes it necessary to study more rationally the chemical structure, because the solid forms often display different mechanical, therm
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8edb83670bad8529571c1ca6b9bc73e4
https://pubmed.ncbi.nlm.nih.gov/35879484
https://pubmed.ncbi.nlm.nih.gov/35879484
Publikováno v:
Digibug. Repositorio Institucional de la Universidad de Granada
instname
Consorcio Madroño
instname
Consorcio Madroño
Supplementary data to this article can be found online at https://doi.org/10.1016/j.clay.2022.106496.
The authors would like to acknowledge the contribution of the European COST Action CA17120 supported by the EU Framework Programme Horizon 2020
The authors would like to acknowledge the contribution of the European COST Action CA17120 supported by the EU Framework Programme Horizon 2020
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0825f94cb3486482cfa50b086e876ff5
Publikováno v:
Fluid Phase Equilibria. 490:1-12
The three steps systematic parameterization procedure, 3SSPP, to develop force fields of polar liquids proposed by our group (J. Chem. Theory Comput. 2015, 11, 683) is reviewed. The method allows obtaining independently the charge distribution and Le
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fbc07d06fd49fb78e0c44df7111a836c
https://doi.org/10.1016/j.fluid.2019.02.018
https://doi.org/10.1016/j.fluid.2019.02.018
Publikováno v:
Journal of Chemical & Engineering Data. 63:1170-1179
Molecular dynamics simulations for liquid acetone, the pure component and mixed with water, are performed to analyze the effect that the dielectric constant has on the solubility. The CGenFF and OPLS/AA force fields, together with two TraPPE_UA model
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b2830a98a33be864568b46fb556d54f2
https://doi.org/10.1021/acs.jced.7b00573
https://doi.org/10.1021/acs.jced.7b00573
Autor:
Alexander Pérez de la Luz, José Alejandre, Edith Nadir de Jesús González, Edgar Núñez-Rojas, Jorge Alberto Aguilar-Pineda
Publikováno v:
The Journal of Physical Chemistry B. 122:1669-1678
The transferable potential for a phase equilibria force field in its united-atom version, TraPPE_UA, is evaluated for 41 polar liquids that include alcohols, thiols, ethers, sulfides, aldehydes, ketones, and esters to determine its ability to reprodu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6445c34d44989aa2a3ca4526793de6b4
https://doi.org/10.1021/acs.jpcb.7b10970
https://doi.org/10.1021/acs.jpcb.7b10970