3. Structural design
3.1 Calculation framework
Calculating the structure of a protein from NMR parameters involves determining a set of conformers of the molecule, each conformer being defined by the Cartesian coordinates of the atoms (figure 17 ). This is very different from X-ray crystallography, where only the conformations present in the crystal lattice are determined. As NMR studies molecules in solution with internal dynamics, it is normal that the end result is a set of conformations.
NMR structures are calculated using the formalism of classical...
The Ultimate Scientific and Technical Reference
This article is included in
Physics and chemistry
This offer includes:
Knowledge Base
Updated and enriched with articles validated by our scientific committees
Services
A set of exclusive tools to complement the resources
Practical Path
Operational and didactic, to guarantee the acquisition of transversal skills
Doc & Quiz
Interactive articles with quizzes, for constructive reading
Structural design
Bibliography
References
Websites
Databases
Protein Data Bank (PDB) https://www.rcsb.org/
BioMaguResBank (BMRB) http://www.bmrb.wisc.edu
NMR, molecular modeling
NMR Information Server http://spincore.com/nmrinfo
...Manufacturers and suppliers
Fermenters are available to automatically control the culture of organisms for protein overexpression. These devices control pH, temperature and partial pressures of oxygen and carbon dioxide.
Fermenters
B Braun Biotech (Sartorius S.A) http://www.bbraunbiotech.com
Marked media and isotopes
...Software
The computers used for structural calculations are mainly UNIX-based workstations. This is due to the fact that the vast majority of programs are developed in a university environment under UNIX or LINUX, with a few exceptions (particularly molecule visualization programs) which run under Windows or MacOS.
Data processing and analysis
Each NMR manufacturer (Bruker, Varian, Jeol) has its own processing...
Organizations
Groupes d'études et de recherche sur la résonance magnétique (GERM) http://www.infobiosud.univ-montp1.fr/RMN/germ.html
Groupe de graphisme et modélisation moléculaire (GGMM) http://www.ibcp.fr/GGMM/ggmm.html
...
The Ultimate Scientific and Technical Reference
