Now showing items 1-6 of 6
A reduced model of short range interactions in polypeptide chains
(Georgia Institute of Technology, 1995-09-08)
A simple model of short range interactions is proposed for a reduced lattice representation of polypeptide conformation. The potential is derived on the basis of statistical regularities seen in the known crystal structures ...
Computer design of idealized β-motifs
(Georgia Institute of Technology, 1995-12-15)
A lattice model of protein conformation and dynamics is used to explore the requirements for the de novo folding from an arbitrary random coil state of idealized models of four and six-member β-barrels. A number of possible ...
Spontaneous Translocation of a Polymer across a Curved Membrane
(Georgia Institute of Technology, 1995-03-13)
The translocation of a hydrophobic polymer across a curved bilayer membrane has been studied using Monte Carlo methods. It is found that for curved membranes the polymer crosses spontaneously and almost irreversibly from ...
A simple technique to estimate partition functions and equilibrium constants from Monte Carlo simulations
(Georgia Institute of Technology, 1995-04-15)
A combined Monte Carlo (MC) simulation-statistical mechanical treatment is proposed to calculate the internal partition function and equilibrium constant. The method has been applied to a number of one and multidimensional ...
A Monte Carlo model of fd and Pf1 coat proteins in lipid membranes
(Georgia Institute of Technology, 1995-10)
A Monte Carlo Dynamics simulation was used to investigate the behavior of filamentous bacteriophage coat proteins in a model membrane environment. Our simulation agrees with the previous experimental observations that ...
An object oriented environment for artificial evolution of protein sequences: The example of rational design of transmembrane sequences
(Georgia Institute of Technology, 1995)
A system is presented for generating peptide sequences with desirable properties, using combination of neural network and artificial evolution. The process is illustrated by an example of a practical problem of ...