Nonlinear dynamics of globular proteins
Abstract
Some ongoing work aimed at generalizing DAVYDOV's ideas to a real globular protein is described. So far, a computer code, GLOP, which calculates amide-I bond energy evolution on a globular protein has been developed and tested. The code is quite versatile and takes as input the coordinates of a protein. The full geometry of the molecule is then taken into account when the dipole-dipole interaction between peptide groups is calculated. The amide-I energy is coupled to one intramolecular excitation, but can without difficulty be extended to more or to include intermolecular excitations.
- Authors:
- Publication Date:
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- OSTI Identifier:
- 5724351
- Report Number(s):
- LA-UR-83-2252; CONF-830697-3
ON: DE83015219
- DOE Contract Number:
- W-7405-ENG-36
- Resource Type:
- Conference
- Resource Relation:
- Conference: International conference on nonlinear electrodynamics in biological systems, Loma Linda, CA, USA, 5 Jun 1983
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 59 BASIC BIOLOGICAL SCIENCES; LYSOZYME; MOLECULAR STRUCTURE; MOLECULAR MODELS; COMPUTERIZED SIMULATION; MATHEMATICAL MODELS; COMPUTER CODES; CONFIGURATION INTERACTION; DIPOLES; GLOBULINS; HAMILTONIANS; PHYSICAL CHEMISTRY; VIBRATIONAL STATES; CHEMISTRY; ENERGY LEVELS; ENZYMES; EXCITED STATES; GLYCOSYL HYDROLASES; HYDROLASES; MATHEMATICAL OPERATORS; MULTIPOLES; O-GLYCOSYL HYDROLASES; ORGANIC COMPOUNDS; PROTEINS; QUANTUM OPERATORS; SIMULATION; 550200* - Biochemistry
Citation Formats
Lomdahl, P S. Nonlinear dynamics of globular proteins. United States: N. p., 1983.
Web. doi:10.1007/978-1-4613-2789-9_11.
Lomdahl, P S. Nonlinear dynamics of globular proteins. United States. https://doi.org/10.1007/978-1-4613-2789-9_11
Lomdahl, P S. 1983.
"Nonlinear dynamics of globular proteins". United States. https://doi.org/10.1007/978-1-4613-2789-9_11. https://www.osti.gov/servlets/purl/5724351.
@article{osti_5724351,
title = {Nonlinear dynamics of globular proteins},
author = {Lomdahl, P S},
abstractNote = {Some ongoing work aimed at generalizing DAVYDOV's ideas to a real globular protein is described. So far, a computer code, GLOP, which calculates amide-I bond energy evolution on a globular protein has been developed and tested. The code is quite versatile and takes as input the coordinates of a protein. The full geometry of the molecule is then taken into account when the dipole-dipole interaction between peptide groups is calculated. The amide-I energy is coupled to one intramolecular excitation, but can without difficulty be extended to more or to include intermolecular excitations.},
doi = {10.1007/978-1-4613-2789-9_11},
url = {https://www.osti.gov/biblio/5724351},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 01 00:00:00 EST 1983},
month = {Sat Jan 01 00:00:00 EST 1983}
}
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