MOLE 2.0: advanced approach for analysis of biomacromolecular channels

• Published in: Journal of cheminformatics Vol. 5; no. 1; p. 39
• Main Authors: Sehnal, David, Svobodová Vařeková, Radka, Berka, Karel, Pravda, Lukáš, Navrátilová, Veronika, Banáš, Pavel, Ionescu, Crina-Maria, Otyepka, Michal, Koča, Jaroslav
• Format: Journal Article
• Language: English
• Published: Cham Springer International Publishing 16.08.2013; Springer Nature B.V; BioMed Central Ltd; BioMed Central
• Subjects: Algorithms; Amino acids; Chemistry; Chemistry and Materials Science; Computational Biology/Bioinformatics; Computer Applications in Chemistry; Documentation and Information in Chemistry; Enzymes; Methods; Programming languages; Software; Studies; Theoretical and Computational Chemistry; Protein structures; Cytochrome P450; BM3; Pores; Channels; CAM; Tunnels

Background Channels and pores in biomacromolecules (proteins, nucleic acids and their complexes) play significant biological roles, e.g., in molecular recognition and enzyme substrate specificity. Results We present an advanced software tool entitled MOLE 2.0, which has been designed to analyze mole...