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Listar por palabra clave "Molecular docking"

Mostrando ítems 1-5 de 5

Combination of nanophotonic biosensors and light-assisted immobilization procedures for the detection of cardiac biomarkers

Sabek, Jad (Universitat Politècnica de València, 2019-09-02)

[ES] El cuidado de la salud es un campo en el que la detección precoz de enfermedades está cobrando cada vez más importancia. Hoy en día, profesionales y ciudadanos demandan que las técnicas de diagnóstico sean de alta ...
Computational binding study of cardiac troponin I antibody towards cardiac versus skeletal troponin I

Sabek, Jad; Martinez-Perez, Paula; García-Rupérez, Jaime (Elsevier, 2019-06)

[EN] A computational study of the interaction of cardiac troponin I (cTnI) with its specific antibody and of that antibody with skeletal troponin I (sTnI), the principal interferon of cTnI, is carried out. Computational ...
Pelargonic acid's interaction with the auxin transporter PIN1: A potential mechanism behind its phytotoxic effects on plant metabolism

López-González, David; Muñoz-Usero, Marta; Hermida-Ramón JM; Sara Álvarez-Rodríguez; FABRIZIO ARANITI; MARTA TEIJEIRA; Verdeguer Sancho, Mercedes María; Sánchez-Moreiras, Adela M. (Elsevier, 2024-12)

[EN] Pelargonic acid (PA) is a saturated fatty acid commonly found in several organisms, that is known for its phytotoxic effect and its use as bioherbicide for sustainable weed management. Although PA is already commercialised ...
QN-Docking: An innovative molecular docking methodology based on Q-Networks

Serrano, Antonio; Imbernón, Baldomero; Pérez-Sánchez, Horacio; Cecilia-Canales, José María; Bueno-Crespo, Andrés; Abellán, José L. (Elsevier, 2020-11)

[EN] Molecular docking is often used in computational chemistry to accelerate drug discovery at early stages. Many molecular simulations are performed to select the right pharmacological candidate. However, traditional ...
Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies

Hamulic, Damir; Stadler, Marco; Hering, Steffen; Padron, Jose M.; Bassett, Rachel; Rivas, Fatima; Loza-Mejia, Marco; Dea-Ayuela, M. Auxiliadora; González-Cardenete, Miguel A (American Chemical Society, 2019-04)

[EN] The first semisynthesis and biological profiling of the new abietane diterpenoid (+)-liquiditerpenoic acid A (abietopinoic acid) (7) along with several analogues are reported. The compounds were obtained from readily ...