26 results match your criteria: "CNR-Institute of Crystallography[Affiliation]"
J Chem Theory Comput
November 2012
Computational Biophysics, German Research School for Simulation Sciences 1, D-52425 Jülich, Germany, and Institute for Advanced Simulation, Forschungszentrum Jülich, D-52425 Jülich, Germany.
The intrinsic plasticity of protein residues, along with the occurrence of transitions between distinct residue conformations, plays a pivotal role in a variety of molecular recognition events in the cell. Analysis aimed at identifying both of these features has been limited so far to protein-complex structures. We present a computationally efficient tool (T-pad), which quantitatively analyzes protein residues' flexibility and detects backbone conformational transitions.
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