Nonlinear dynamics of globular proteins

Conference · Sat Jan 01 00:00:00 EST 1983

DOI:https://doi.org/10.1007/978-1-4613-2789-9_11· OSTI ID:5724351

Lomdahl, P S

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.

• Research Organization: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 5724351
• Report Number(s): LA-UR-83-2252; CONF-830697-3; ON: DE83015219
• 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

Related Subjects

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