Refinement of large structures by simultaneous minimization of energy and R factorInternational Union of Crystallography (IUCr) - Tập 34 Số 6 - Trang 931-935 - 1978
A. Jack, Michael Levitt
An improved method of crystallographic structure refinement, especially suitable
for large molecules, is described, it is based on simultaneous minimization of a
realistic potential-energy function and a crystallographic residual. The method
has already proved its worth in the final stages of refinement of two
structures; an application to crude wiremodel coordinates of a small protein is
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