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Challenges and limitations in the studies of glycoproteins: A computational chemist's perspective
(WILEY, 2021)
Experimenters face challenges and limitations while analyzing glycoproteins due to their high flexibility, stereochemistry, anisotropic effects, and hydration phenomena. Computational studies complement experiments and ...
Structures of MERS-CoV macro domain in aqueous solution with dynamics: Impacts of parallel tempering simulation techniques and\n CHARMM36m\n and\n AMBER99SB\n force field parameters
(Wiley, 2021)
A novel virus, severe acute respiratory syndrome Coronavirus 2 (SARS-CoV-2), causing
coronavirus disease 2019 (COVID-19) worldwide appeared in 2019. Detailed scientific
knowledge of the members of the Coronaviridae family, ...