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- Title
MolBridge: a program for identifying nonbonded interactions in small molecules and biomolecular structures.
- Authors
Kumar, Prasun; Kailasam, Senthilkumar; Chakraborty, Shaunak; Bansal, Manju
- Abstract
Identification and analysis of nonbonded interactions within a molecule and with the surrounding molecules are an essential part of structural studies, given the importance of these interactions in defining the structure and function of any supramolecular entity. MolBridge is an easy to use algorithm based purely on geometric criteria that can identify all possible nonbonded interactions, such as hydrogen bond, halogen bond, cation-π, π-π and van der Waals, in small molecules as well as biomolecules. The user can either upload three-dimensional coordinate files or enter the molecular ID corresponding to the relevant database.
- Subjects
BIOINFORMATICS software; NONBONDED molecular interactions; VAN der Waals forces
- Publication
Journal of Applied Crystallography, 2014, Vol 47, Issue 5, p1772
- ISSN
0021-8898
- Publication type
Product Review
- DOI
10.1107/S160057671401468X