A suggestion for a new algorithm for the calculation of molecular structures
by Borros M. Arneth
International Journal of Immunological Studies (IJIS), Vol. 2, No. 1, 2014

Abstract: Algorithms available for the calculation of molecular structures of biomolecules only deliver reasonable results in a few cases. In particular, for complex biomolecules as proteins and nucleic acids, the results are only partly usable. Thus, molecular structures of immunological relevant molecules can only be determined experimentally by methods as X-ray analysis and nuclear magnetic resonance (NMR) spectroscopy. Perhaps, the difficulties with the algorithms used so far are that a large number of interactions are ignored. So far, electrostatic interactions as in hydrogen bonds have been considered, with addition of van der Waals interactions and hydrophobic forces. This work considers mass-charge interactions in addition to the Coulombic interactions as pure charge-charge interactions. This new type of interaction has recently been proposed, and turns out to be useful in the calculation of molecular structures. An efficient method of calculating molecular structures would lead to a better understanding of structures and would be a developmental leap for computational biology.

Online publication date: Sat, 10-Jan-2015

The full text of this article is only available to individual subscribers or to users at subscribing institutions.

Existing subscribers:
Go to Inderscience Online Journals to access the Full Text of this article.

Pay per view:
If you are not a subscriber and you just want to read the full contents of this article, buy online access here.

Complimentary Subscribers, Editors or Members of the Editorial Board of the International Journal of Immunological Studies (IJIS):
Login with your Inderscience username and password:

    Username:        Password:         

Forgotten your password?

Want to subscribe?
A subscription gives you complete access to all articles in the current issue, as well as to all articles in the previous three years (where applicable). See our Orders page to subscribe.

If you still need assistance, please email subs@inderscience.com