Application of molecular simulation methods in food science: status and prospects

Y Yu, S Xu, R He, G Liang - Journal of Agricultural and Food …, 2023 - ACS Publications
Molecular simulation methods, such as molecular docking, molecular dynamic (MD)
simulation, and quantum chemical (QC) calculation, have become popular as …

[HTML][HTML] Identifying immunodominant multi-epitopes from the envelope glycoprotein of the Lassa mammarenavirus as vaccine candidate for Lassa fever

AB Rowaiye, EJ Nwonu, TM Asala… - Clinical and …, 2022 - ncbi.nlm.nih.gov
Purpose Lassa fever is a zoonotic acute viral hemorrhagic disease caused by Lassa virus
(LASV). There is currently no licensed vaccine for the prevention of the disease. This study is …

[HTML][HTML] Identification and characterization of alternative sites and molecular probes for SARS-CoV-2 target proteins

SM Iyengar, KK Barnsley, HY Vu… - Frontiers in …, 2022 - frontiersin.org
Three protein targets from SARS-CoV-2, the viral pathogen that causes COVID-19, are
studied: the main protease, the 2'-O-RNA methyltransferase, and the nucleocapsid (N) …