Method and system for protein modeling

Details Method and system for protein modeling Method and system for protein modeling

1993-04-28

1995-09-26

Ramirez, Ellis B.

Boots, shoes, and leggings

364578, 435219, 436 8, 395119, 395920, 395924, G01N 3700

Patent

active

054539374

ABSTRACT:
A method in a computer system for modeling a three-dimensional structure of a model protein is provided. In a preferred embodiment, the modeling is based upon a three-dimensional structure of a template protein and an amino acid sequence alignment of the model protein and the template protein. The proteins comprise a plurality of amino acids having backbone atoms and side chain atoms. For each amino acid in the model protein, when the template protein has an amino acid aligned with the amino acid of the model protein, the position of each backbone atom of the amino acid of the model protein is established based on the position of a topologically equivalent backbone atom in the aligned amino acid of the template protein. The inter-atomic distance constraints for each pair of atoms with an established position is generated. Finally, the position of each atom in the model protein is set so that the inter-atomic distances are in accordance with the constraints.

REFERENCES:
patent: 4881175 (1989-11-01), Ladner
patent: 5025388 (1991-06-01), Cramer, III et al.
patent: 5241470 (1993-08-01), Lee et al.
patent: 5260882 (1993-11-01), Blanco et al.
Brooks et al., "CHARMM: A Program for Macromolecular Energy, Minimization, and Dynamics Calculations", 1983, pp. 187-217.
Srinivasan, Subhashini, et al., "Multistep Modeling of Protein Structure: Application to Bungarotoxin," International Journal of Quantum Chemistry: Quantum Biology Symposium 13, 1986, pp. 167-174.
Havel, Timothy, and Mark E. Snow, "A New Method For Building Protein Conformations From Sequence Alignments With Homologues of Known Structure," J. Mol. Biol., 1991, pp. 1-7.

Affiliated with

Also associated with

Rating

Method and system for protein modeling does not yet have a rating. At this time, there are no reviews or comments for this patent.

If you have personal experience with Method and system for protein modeling, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Method and system for protein modeling will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFUS-PAI-O-1555900