Open Access. Powered by Scholars. Published by Universities.®

Molecular Biology Commons

Open Access. Powered by Scholars. Published by Universities.®

Theses/Dissertations

Physical Sciences and Mathematics

Applied mathematics

Publication Year

Articles 1 - 3 of 3

Full-Text Articles in Molecular Biology

A Penalty Function Method For Constrained Molecular Dynamics , Ajith Gunaratne Jan 2006

A Penalty Function Method For Constrained Molecular Dynamics , Ajith Gunaratne

Retrospective Theses and Dissertations

We propose a penalty-function method for constrained molecular dynamic simulation by defining a quadratic penalty function for the constraints. The simulation with such a method can be done by using a conventional, unconstrained solver only with the penalty parameter increased in an appropriate manner as the simulation proceeds. More specifically, we scale the constraints with their force constants when forming the penalty terms. The resulting force function can then be viewed as a smooth continuation of the original force field as the penalty parameter increases. The penalty function method is easy to implement and costs less than a Lagrange multiplier ...


Genetic Variation And Evolution Of Equine Infectious Anemia Virus Rev Quasispecies During Long Term Persistent Infection , Prasith Baccam Jan 2000

Genetic Variation And Evolution Of Equine Infectious Anemia Virus Rev Quasispecies During Long Term Persistent Infection , Prasith Baccam

Retrospective Theses and Dissertations

Genetic variation has been observed in many viruses. Viruses that carry their genetic information in the form of RNA exhibit high mutation rates because the viral polymerase lacks proof-reading mechanisms commonly found in DNA polymerase complexes. The combination of high mutation rates, small genome size, and high replication rates results in a population of closely related viral genotypes, which are commonly referred to as a quasispecies. A consequence of the genetic variation in viruses is possible variation in viral phenotype of the quasispecies population. Furthermore, changes in viral phenotype may be a biologically important factor in progression of disease. Here ...


Two Dimensional Models Of Tumor Angiogenesis , Serdal Pamuk Jan 2000

Two Dimensional Models Of Tumor Angiogenesis , Serdal Pamuk

Retrospective Theses and Dissertations

Angiogenesis, the formation of new capillaries from pre-existing vessels, is essential for tumor progression. It is critical for the growth of primary cancers. In this thesis we present a new approach to angiogenesis, based on the theory of reinforced random walks, coupled with a Michaelis-Menten type mechanism. This views the endothelial cell receptors as the catalyst for transforming angiogenic factor into proteolytic enzyme in order to model the first stage. In our model we use a curvature-induced proliferation term for the endothelial cell equation. Our numerical results indicate that the proliferation of endothelial cells is high at the tip. Also ...