A flexible self-folding receptor for coronene

A method for building self-folding machines

Protein Folding: Flexible Lattice Models

In the post genomic era a possibility of theoretical prediction of protein structure from sequence of amino acids is one of the most important and challenging goals of molecular biology. High complexity of the problem requires simplification of molecular models and very efficient computational tools. Proposed here model of protein structure, dynamics and interaction scheme assumes a single inte...

Flexible Protein Folding by Ant Colony Optimization

(2008) Flexible protein folding by ant colony optimization.

Flexible Spanners for Tracking Proximity in Folding Molecules

Robert Gdanitz, Senior Research Associate in the Department of Physics at North Carolina A&T State University, has been named a PI on the BioGeometry project effective June 2003. Robert is a theoretical physical chemist with expertise in developing electronic structures as well as force field methods. He interacts with group members at Chapel Hill, Duke, and Stanford to further develop his meth...

Photosensitization of coronene–purine hybrids for photodynamic therapy

Photosensitization properties of coronene-purine (Cor-P) hybrids for photodynamic therapy (PDT) have been investigated in this work. Eight hybrid Cor-P models have been designed by the additional of adenine (A) and guanine (G) nucleobase to Cor species. The evaluated absorption and emission energies indicated that the singular models are not good at all for PDT process whereas their hybrid mode...