Tag: molecular docking

A multi-omics study identifies CASP9 as a genetically protective but stage-dependent prognostic factor in clear cell renal cell carcinoma, linking ...

Researchers used three AI platforms to structurally modify the natural compound beta-caryophyllene and computationally identified derivatives that bind xanthine oxidase ...

New research from India shows that bioactive compounds in rosemary and hibiscus extracts bind essential bacterial proteins with affinities rivaling ...

A new review details how the Manta platform merges virtual reality with interactive molecular dynamics to let students manipulate molecules, ...

A new review details how cryo-electron microscopy, AI modeling and time-resolved crystallography are decoding the multi-target synergy of traditional Chinese ...

INRAE researchers used AI-predicted olfactory receptor structures to identify, for the first time, the sex pheromone of the lily moth, ...

Researchers fused machine learning, molecular docking and molecular dynamics simulations into a virtual screening pipeline that discovered HY-18,623, a nanomolar ...

Chemists in Saudi Arabia have created hybrid thienopyridazine-thiazole molecules, one of which kills colorectal and breast cancer cells in vitro ...

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 ...