In this article we explore techniques to detect and visualize features in data from molecular dynamics (MD) simulations. Although the techniques proposed are general, we focus on ...
John Wilkins, Kaden Hazzard, Raghu Machiraju, Same...
Bio-molecules reach their stable configuration in solvent which is primarily water with a small concentration of salt ions. One approximation of the total free energy of a bio-mol...
We present the “Dynamic Packing Grid” (DPG) data structure along with details of our implementation and performance results, for maintaining and manipulating flexible molecul...
Chandrajit L. Bajaj, Rezaul Alam Chowdhury, Muhibu...
Abox inference is an important part in OWL data management. When involving large scale of instance data, it can not be supported by existing inference engines. In this paper, we p...
crystallographic results were made available through the Protein Data Bank (PDB) (entries: ITUB and IJFF) which allowed us to view the 3D atomic resolution structure oftubulin. (se...
J. A. Tuszynski, E. J. Carpenter, E. Crawford, J. ...