Insights into protein compressibility from molecular dynamics simulations

Article Abstract:

The intrinsic compressibility for globular protein from MD simulations in an NTP ensemble using the statistical definition of compressibility and simple method to calculate protein molecular volumes is presented. Results reveal a high correlation between experimental compressibilities and calculated isothermal compressibilities for globular protein.

Usage, Chemistry, Physical and theoretical, Physical chemistry, Compressibility

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Photoreversible dark state in a tristable green fluorescent protein variant

Article Abstract:

The reversible photoinduced structural changes of a green fluorescent protein (GFP) mutant and their optical control are reported. It shows that this state is involved in the switching dynamics in the molecules and the transition rates of the reversible photoconversion processes are determined.

Molecular structure, Chemical properties

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