Tag: molecular dynamics simulation

A new study combining network pharmacology, molecular docking, and mouse experiments shows that the plant-derived compound bellidifolin alleviates doxorubicin-induced liver ...

A new computational study in Heliyon used pharmacophore modeling of marine-derived compounds to design synthetic gamma-secretase modulators that outperformed a ...

A comprehensive new review synthesizes the molecular-scale mechanisms governing CO2 interactions with crude oil, formation water, and reservoir rock, revealing ...

A new computational study shows that adding graphene oxide to hydroxyapatite coatings substantially strengthens predicted binding to bone-building proteins and ...

Bioactive compounds from the medicinal tree Pistacia integerrima suppress the growth and migration of lung cancer cells by targeting PI3K, ...

An integrated computational and animal study shows that the soy isoflavone genistein targets five key genes to simultaneously lower blood ...

Researchers have used immunoinformatics and reverse vaccinology to design a multi-epitope mRNA vaccine candidate against Trypanosoma brucei, the parasite that ...

Researchers have built an ERβ-based electrochemical nano-receptor sensor on an Au-MoS2/NiO nanocomposite that quantitatively distinguishes ten estrogenic ligands, revealing that ...

A new study shows that goji berry polysaccharide stabilizes wheat gliadin foams through fundamentally different, subunit-specific molecular mechanisms acting on ...

A computational screen of 698 plant compounds identified diosgenin as a stronger and safer binder of antiapoptotic Bcl-2 family proteins ...