Protein hydrophobicity is a fundamental driver of protein folding dynamics, underpinning the formation of a central hydrophobic core that stabilises the three-dimensional structure amid an aqueous ...
Recently identified and long-lasting type of protein misfolding — non-native entanglements — observed in all-atom protein folding simulations. Representative misfolded conformations of the small ...
John Jumper (S.M. ’12, Ph.D. ’17) was awarded the Nobel Prize in Chemistry in 2024 for his contributions to the development of AlphaFold, an AI model that revolutionized protein structure prediction.
New computer simulations that model every atom of a protein as it folds into its final three-dimensional form support the existence of a recently identified type of protein misfolding. Proteins must ...
CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein engineering for cancer treatment. Operating significantly faster than traditional all ...
A paper describing the research, which used a combination of computer simulations and refolding experiments to describe the folding kinetics of a protein called phosphoglycerate kinase (PGK), appeared ...
In Greek mythology, Proteus, son of Poseidon and prophetic shepherd of sea-beasts, could foretell the future. The elusive sea god was difficult to capture as he assumed many forms—a lion, a serpent, ...
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Molecular dynamics simulations use atomistic force field to capture RNA folding with high accuracy
Ribonucleic acid (RNA) is one of life's most versatile molecules, with roles going far beyond being a messenger of genetic code, as it is fundamentally involved in gene regulation, processing, and ...
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