About

MCQ4Structures is a tool for structural similarity computation based on molecule tertiary structure representation in torsional angle space. MCQ4Structures can be applied to RNAs and proteins.
MCQ4Structures is available as a free Java application. The source code is licensed under BSD.

Authors

Authors of the idea and algorithms implemented in MCQ4Structures are members of the RABIT group, affiliated at the Institute of Computing Science, Poznan University of Technology and Institute of Bioorganic Chemistry, PAS.

Citing MCQ4Structures

T. Zok, M. Popenda, M. Szachniuk. MCQ4Structures to compute similarity of molecule structures. Central European Journal of Operations Research, CEJOR, 2013, DOI: 10.1007/s10100-013-0296-5.

Acknowledgements and funding

This work has been partially supported by the European Regional Development Fund within Innovative Economy Programme (POIG.02.03.00-00-018/08 POWIEW) and grants from the National Science Centre, Poland (2012/05/B/ST6/03026).