Mikhail Simin

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A strategy for simultaneous study of the structure and internal dynamics of a membrane protein is described using the REDCRAFT algorithm. The membrane-bound form of the Pf1 major coat protein (mbPf1) was used as an example. First, synthetic data is utilized to validate the simultaneous study of structure and dynamics with REDCRAFT using dihedral restraints(More)
  • Timothy Matthew Fawcett, Stephanie Irausquin, Mikhail Simin, Homayoun Valfar
  • 2011
SCOPE (Semi Classical Open Source Protein Energy) is an open-source program that has been implemented in the Object-Oriented C++ language, capable of computing none-bonded energies for protein structures from first principles. SCOPE is also capable of manipulating protein structures within the Rotamer space instead of the typical Cartesian space. This(More)
Although a number of scientific advances have been made in the area of structural biology, a few obstacles continue to impede our ability to quickly and efficiently characterize protein structure-function relationships. Probability Density Profile Analysis (PDPA) is a method which rapidly quantifies the structural novelty of a protein, based on the(More)
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