SMILES, or the Simplified Molecular Input Line Entry ... "A key feature of our method is blind docking, which predicts how the redesigned protein interacts with its ligand without the need for ...

Killer whales, as apex predators with long lifespans, are prone to accumulating high levels of persistent organic pollutants ...

The intuitive and highly visual GUI makes Surflex-Dock more easily accessible to computational and medicinal chemists modelling protein-ligand interactions. Surflex-Dock is a highly automated ...

To the Editor: Reliable and fast computation of protein free energy is crucial for protein-structure analysis, structure-based protein design and protein docking ... 7 or to molecular mechanics ...

High levels of fat mass and obesity-associated protein (FTO) have been linked to increased tumor growth and resistance to ...

An elaborate scaffold of proteins coordinates this vesicle docking, and scientists long assumed these proteins were essential to neuron signaling. For years, Harvard Medical School neuroscientist ...