Paper Citing NAMD - Abstract
Pant, Kartikeya; Dutta, Udayan
Software packages for studying diffusion pathways of gases in proteins
Biophysical Reviews and Letters, 2:273-286, OCT 2007
Mapping entry and exit pathways of gases in proteins is now carried out using a combination of crystallographic, spectroscopic and computational techniques. Recent technological advances have brought about a broad range of software packages that can map diffusion pathways in several different classes of proteins, the results of which can be verified experimentally. We review some of the software packages used to study diffusion pathways in different proteins and discuss some common applications. It is anticipated that this review will serve as a useful resource in choosing the software package best suited to one's need to study a problem on diffusion pathways for diatomic molecules while providing the necessary background for this purpose.
