BION-2: Predicting positions of non-specifically bound ions

Professor Emil Alexov Group


About BION-2

Ions are essential component of the cell and frequently are found bound to various macromolecules, in particular to proteins. A binding of an ion to a protein greatly affects proteins biophysical characteristics and needs to be taken into account in any modeling approach. However, ion’s bounded positions cannot be easily revealed experimentally, especially if they are loosely bound to macromolecular surface. The BION-2 web server predicts non-specifically surface-bound ions. The BION-2 is easy to use web server that requires only coordinate file to be inputted, and the user is provided with various, but easy to navigate, options. The coordinate file with predicted bound ions is displayed on the output and is available for download.

Please see the publication for greater details and cite to acknowledge the use of BION-2 in your work:

Shashikala, H.B.M.; Chakravorty, A.; Panday, S.K.; Alexov, E. BION-2: Predicting Positions of Non-Specifically Bound Ions on Protein Surface by a Gaussian-Based Treatment of Electrostatics. Int. J. Mol. Sci. 2021, 22, 272.

Example:  An example .pqr format file can be obtained from here.

Copyright © Computational Biophysics and Bioinformatics - Emil Alexov Group.