Tag: molecular dynamics simulation

A new study combines experiments and molecular simulations to reveal how bromelain from pineapple restructures beef myofibrillar proteins, with an ...

A computational study finds that mulberry phytochemicals mulberrofuran L and X bind the cancer-critical CDK1 protein more stably than the ...

Using subtractive proteomics, reverse vaccinology and multi-scale molecular modeling, researchers have computationally designed a 386-amino-acid multi-epitope vaccine candidate against the ...

A recombinant adhesion protein from the gum disease bacterium Porphyromonas gingivalis activates dendritic cells through TLR2 and boosts the anti-tumor ...

Chemists have used an eco-friendly bismuth catalyst to synthesize pyridopyrimidine compounds in high yields, with laboratory tests and extensive computer ...

An integrated multiomics and machine learning study has identified SERPING1 as a leading candidate biomarker for amiodarone-induced pulmonary fibrosis, with ...

A new study combines computational modeling and cell-based experiments to show that the plant compound zerumbone suppresses IL-10–driven JAK–STAT signaling ...

Researchers transformed Litsea cubeba oil-processing residuals into antioxidant peptide hydrolysates, combining fluorescence chromatography and molecular dynamics simulation to reveal the ...

A combined theoretical and molecular dynamics study tests Dzugutov's universal scaling law for atomic diffusion in liquid cobalt-iron and nickel-iron ...

Researchers combined peptidomics, machine learning and molecular simulation to identify five novel long-chain umami peptides in Dengchuan beef that taste ...