Listar por tema "molecular dynamics"

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  • Autochthonous Peruvian Natural Plants as Potential SARS-CoV-2 M(pro) Main Protease Inhibitors. 
    Peralta-Moreno, Maria Nuria; Anton-Muñoz, Vanessa; Ortega-Alarcon, David; Jimenez-Alesanco, Ana; Vega, Sonia; Abian, Olga; Velazquez-Campoy, Adrian; Thomson Okatsu, Timothy M.; Granadino-Roldán, José Manuel; Machicado Rivero, Claudia Inés Gloria; Rubio-Martinez, Jaime (MDPI, 2023)
    Over 750 million cases of COVID-19, caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), have been reported since the onset of the global outbreak. The need for effective treatments has spurred ...
  • Immunoinformatic analysis of the whole proteome for vaccine design: An application to Clostridium perfringens 
    Soto, L.F.; Romaní, A.C.; Jiménez-Avalos, Gabriel; Silva, Y.; Ordinola-Ramirez, C.M.; Lopez Lapa, R.M.; Requena, D. (Frontiers Media, 2022)
    Clostridium perfringens is a dangerous bacterium and known biological warfare weapon associated with several diseases, whose lethal toxins can produce necrosis in humans. However, there is no safe and fully effective vaccine ...
  • Molecular Dynamics and MM-PBSA Analysis of the SARS-CoV-2 Gamma Variant in Complex with the hACE-2 Receptor 
    Cavani, M.; Riofrío, W.A.; Arciniega, M. (MDPI, 2022)
    The SARS-CoV-2 virus, since its appearance in 2019, has caused millions of cases and deaths. To date, there is no effective treatment or a vaccine that is fully protective. Despite the efforts made by governments and health ...
  • Outside-binding site mutations modify the active site's shapes in neuraminidase from influenza A H1N1 
    Tolentino-Lopez, Luis; Segura-Cabrera, Aldo; Reyes-Loyola, Paola; Zimic-Peralta, Mirko Juan; Quiliano, Miguel; Briz, Verónica; Muñoz-Fernández, Angeles; Rodríguez-Pérez, Mario; Ilizaliturri-Flores, Ian; Correa-Basurto, Jose (Wiley, 2013)
    The recent occurrence of 2009 influenza A (H1N1) pandemic as well as others has raised concern of a far more dangerous outcome should this virus becomes resistant to current drug therapies. The number of clinical cases ...
  • Regulatory t-cell dynamics in cutaneous and mucocutaneous leishmaniasis due to leishmania braziliensis 
    Barros, Nicolas; Vasquez, Nestor; Woll, Fernando; Sanchez, Cesar; Valencia, B. M.; Llanos Cuentas, Elmer Alejandro; White, A. Clinton; Montes Delgado, Martin (American Society of Tropical Medicine and Hygiene, 2018)
    To evaluate the dynamics of regulatory T cells (Tregs) during tegumentary leishmaniasis, we assessed peripheral blood and biopsies from 54 patients. Patients with cutaneous leishmaniasis (CL) had a decreased proportion of ...

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