Ontology highlight
ABSTRACT:
SUBMITTER: Sehnal D
PROVIDER: S-EPMC3765717 | biostudies-literature | 2013 Aug
REPOSITORIES: biostudies-literature
Sehnal David D Svobodová Vařeková Radka R Berka Karel K Pravda Lukáš L Navrátilová Veronika V Banáš Pavel P Ionescu Crina-Maria CM Otyepka Michal M Koča Jaroslav J
Journal of cheminformatics 20130816 1
<h4>Background</h4>Channels and pores in biomacromolecules (proteins, nucleic acids and their complexes) play significant biological roles, e.g., in molecular recognition and enzyme substrate specificity.<h4>Results</h4>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. ...[more]