Nature | Chemistry
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Aromatic ring flips reveal reshaping of protein dynamics in crystals and complexes
The extent to which crystal packing constrains protein dynamics is hard to decipher. Now a combination of NMR, crystallography and molecular dynamics simulations show that intermolecular contacts can slow ring flips down in crystals or accelerated them in complexes. A thermodynamic and structural analysis provides insights into the origins of the elevated free-energy barrier in crystals.