scholarly journals Solvent-amino acid interaction energies in three-dimensional-lattice Monte Carlo simulations of a model 27-mer protein: Folding thermodynamics and kinetics

2004 ◽  
Vol 13 (2) ◽  
pp. 358-369 ◽  
Author(s):  
K. Leonhard
Keyword(s):  
Monte Carlo ◽  
Amino Acid ◽  
Three Dimensional ◽  
Interaction Energies ◽  
Acid Interaction ◽  
Dimensional Lattice ◽  
Lattice Monte Carlo ◽  
Thermodynamics And Kinetics ◽  
Amino Acid Interaction ◽  
Folding Thermodynamics

Theoretical prediction of protein antigenic determinants from amino acid sequences

1982 ◽  
Vol 60 (20) ◽  
pp. 2606-2610 ◽  
Author(s):  
Serafin Fraga
Keyword(s):  
Amino Acid ◽  
Semiempirical Method ◽  
Amino Acid Sequences ◽  
Antigenic Determinants ◽  
Interaction Energies ◽  
Acid Interaction ◽  
Present Procedure ◽  
Amino Acid Interaction ◽  
Satisfactory Prediction ◽  
Scf Calculations

The locations of the antigenic determinants in a protein are predicted from its amino acid sequence by a modified Hopp–Woods method, proposed in this work, using both hydrophihcity and recognition factors. The amino acid – amino acid interaction energies, from which the recognition factors have been defined, have been evaluated by a semiempirical method, developed at this laboratory, using 1/R expansions parameterized on the basis of the results from accurate SCF calculations. The present procedure, which eliminates most of the uncertainties in the original Hopp–Woods method, leads to a very satisfactory prediction of the antigenic determinants.

scholarly journals Calculation of DNA-Amino Acid Interaction by Muticanonical Monte Carlo Method

1999 ◽  
Vol 39 (supplement) ◽  
pp. S179
Author(s):  
K. Sayanao ◽  
H. Kono ◽  
M.M. Gromiha ◽  
A. Sarai
Keyword(s):  
Monte Carlo ◽  
Amino Acid ◽  
Monte Carlo Method ◽  
Acid Interaction ◽  
Amino Acid Interaction
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