Biomedical subjects

Giovanni Luca Cascarano

Publications and source records attributed to Giovanni Luca Cascarano.

5 recordsLinked to original sources

PubMed2005

The partial structure with errors: a probabilistic treatment.

The method of the joint probability distribution functions has been applied to the case in which observed (with errors) and calculated structure factors are available, the latter referred to a part of the structure with finite errors in the coordinates, the thermal parameters and the scattering factors. Results obtained by other authors are confirmed and generalized. A new relationship is found to estimate the parameter sigmaA, affecting the reliability of the estimates of cos(varphi-varphip). Some practical applications are described.

Journal Article↗

PubMed2004

MAD phasing: choosing the most informative wavelength combination.

Two algorithms are described for limiting data resolution and for predicting the most informative wavelength combinations in MAD techniques. Both have been successfully tested using experimental data from a large set of test structures.

Algorithms↗

PubMed2004

Benzophenone photophore flexibility and proximity: molecular and crystal-state structure of a Bpa-containing trichogin dodecapeptide analogue.

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Anti-Bacterial Agents↗

PubMed2003

SAD or MAD phasing: location of the anomalous scatterers.

The method of joint probability distribution functions is applied in order to estimate the structure-factor moduli of the anomalous scatterer substructure both in the SAD (single-wavelength anomalous dispersion) and in the MAD (multi-wavelength anomalous dispersion) cases. The experimental data |F(1)(+)|, |F(1)(-)|, ..., |F(n)(+)|, |F(n)(-)| measured at n wavelengths are used simultaneously to estimate the value of |F(oa)| arising from the normal scattering of the anomalous scatterers. A practical procedure is described that, when applied to the experimental diffraction data of several proteins, shows robustness and efficiency.

Algorithms↗

PubMed2002

MAD phasing: probabilistic estimate of [F (oa)].

The method of the joint probability distribution function is applied in order to estimate the structure-factor moduli of the anomalous scatterer substructure. The two-wavelength case is examined: the prior knowledge of the moduli [F(1)(+)], [F(1)(-)], [F(2)(+)], [F(2)(-)] is used to predict the value of [F(oa)] arising from the normal scattering of the anomalous scatterers. The conclusive formula is applied to ideal and to real cases: evidence of the usefulness of the approach is obtained.

Computational Biology↗