Biomedical subjects

Liberato De Caro

Publications and source records attributed to Liberato De Caro.

3 recordsLinked to original sources

PubMed2003

Ab initio protein phasing at 1.4 A resolution.

All the techniques today available for the ab initio crystal structure solution of proteins require that the atomicity condition is satisfied. Accordingly, diffraction data at resolution equal or better than 1.2 A are necessary. This condition reduces the role of the ab initio techniques in macromolecular crystallography. The computer program SIR2002 has been modified in such a way that it may succeed also with 1.4 A resolution diffraction data. The modifications concern all the modules of the program: the modified program also benefits by the efficiency of a figure of merit.

Collagen↗

PubMed2002

Confined structures: basic crystallographic aspects.

The concept of a confined structure is introduced. The statistical properties of the structure factors for such structures are derived and the main features of the Patterson function are described. It is shown that the structure-factor distributions for the confined structures coincide with those derived for the rational index reflections of ordinary structures. Algorithms potentially useful for protein crystal structure solution are identified and checked via experimental applications.

Journal Article↗

PubMed2002

Direct methods and isomorphous replacement. The triplet invariant estimate when heavy atoms are located.

The probabilistic theory of the three-phase structure invariants for isomorphous pairs has been generalized to the case in which a heavy-atom structure model is available. The rigorous method of joint probability distributions has been applied: it is able to handle errors in measurements and in the heavy-atom structure model, as well as the lack of isomorphism. The conclusive formulas have been successfully applied to experimental data.

Journal Article↗