The study of polypeptide and protein structure with computer-generated molecular models provides numerous advantages over conventional framework molecular models. One notable advantage is the dynamic nature of the computer model. Computer programs, discussed in this report, transform the coordinates
Computer approaches to protein structure I. Analysis of atomic distances
โ Scribed by Andrew M. Tometsko
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 455 KB
- Volume
- 3
- Category
- Article
- ISSN
- 0010-4809
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โฆ Synopsis
X-ray crystallography has yielded the detailed three-dimensional geometry for a number of proteins. In order to interpret the atomic interactions within a protein molecule, it is usually necessary to construct molecular models. Another means of acquiring information concerning molecular structure would be to recast the X-ray data into a more meaningful form. Computer programs, which convert the coordinates of the atoms into a form that facilitates the study of preferred atomic interactions. are described. In this approach the local atomic environment for each atom of the protein is calculated and printed in a manner that makes information of specific atomic interactions readily accessible.
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The dynamic nature of computer models is discussed. In addition to varying the three dimensional position of atoms and the amount of detail presented in a given model, the computer is also able to change the position of the camera relative to the atoms of a protein model.Thus, thecameracould be posi
Selected regions of infarred (ir) and circular dichroism (CD) spectral data from 10 proteins were combined and analyzed by a factor analysis method. The regions consisted of the area normalized amide I region from 1700 to 1600 cm-1 for the ir spectra and from 178 to 240 nm for the CD spectra. Each C
## Abstract In the previous work, we reported a multitarget Quantitative StructureโActivity Relationship (mtโQSAR) model to predict drug activity against different fungal species. This mtโQSAR allowed us to construct a drugโdrug multispecies Complex Network (msCN) to investigate drugโdrug similarit