Biomacromolecular channels and pores play significant biological roles, e.g., in molecular recognition and enzyme substrate specificity. We present an advanced software tool entitled MOLE 2.0, which has been designed to analyze molecular channels and pores. Benchmark tests against other available software tools showed that MOLE 2.0 is by comparison quicker, more robust and more versatile. As a new feature, MOLE 2.0 estimates physicochemical properties of the identified channels.
Current version: 126.96.36.199. For installation instructions, please consult the manual.
An online service for channel computation.
The documentation can be downloaded here and is also included with the application downloads.
MOLE 2.0 was developed in collaboration of the teams at National Centre for Biomolecular Research at the Masaryk University Brno/CEITEC, and Department of Physical Chemistry/RCPTM at the Palacky University Olomouc.