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Computational modeling and machine learning have transformed our understanding of biomolecular structure and function, explaining enzyme mechanisms, elucidating the dynamic behaviors of biological ...
The prediction of precise protein-ligand binding activities can accelerate drug discovery by virtual screening-a computational technique that predicts whether a small molecule ligand is able to bind ...
Cell-to-cell communication (CCC) plays important roles in multicellular organisms. The identification of communication between cancer cells themselves and one between cancer cells and normal cells in ...
Every protein in the body is encased in a water shell that directs protein structure, provides vital stability and steers function. Because of this, water molecules represent a powerful but largely ...
Researchers at the University of Illinois Urbana-Champaign have discovered important new clues in the mystery of how an ...
The two structures differ in the ligand orientation and, consequently, also in the relative orientation of the two WW domains. We analyze and probe the interactions in the complexes by molecular ...