Computational tools for experimental determination and theoretical prediction of protein structure
This tutorial was one of eight tutorials selected to be presented at the Third International Conference on Intelligent Systems for Molecular Biology which was held in the United Kingdom from July 16 to 19, 1995. The authors intend to review the state of the art in the experimental determination of protein 3D structure (focus on nuclear magnetic resonance), and in the theoretical prediction of protein function and of protein structure in 1D, 2D and 3D from sequence. All the atomic resolution structures determined so far have been derived from either X-ray crystallography (the majority so far) or Nuclear Magnetic Resonance (NMR) Spectroscopy (becoming increasingly more important). The authors briefly describe the physical methods behind both of these techniques; the major computational methods involved will be covered in some detail. They highlight parallels and differences between the methods, and also the current limitations. Special emphasis will be given to techniques which have application to ab initio structure prediction. Large scale sequencing techniques increase the gap between the number of known proteins sequences and that of known protein structures. They describe the scope and principles of methods that contribute successfully to closing that gap. Emphasis will be given on the specification of adequate testing procedures to validate such methods.
- Research Organization:
- Stanford Univ., CA (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG03-95ER62031
- OSTI ID:
- 373871
- Report Number(s):
- CONF-9507246-3; ON: DE96014300; TRN: AHC29619%%54
- Resource Relation:
- Conference: Intelligent Systems for Molecular Biology (ISMB) conference, Cambridge (United Kingdom), 16-19 Jul 1995; Other Information: PBD: [1995]
- Country of Publication:
- United States
- Language:
- English
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