CAVER 3.0: A Tool for the Analysis of Transport Pathways in Dynamic Protein Structures

Tunnels and channels facilitate the transport of small molecules, ions and water solvent in a large variety of proteins. Characteristics of individual transport pathways, including their geometry, physico-chemical properties and dynamics are instrumental for understanding of structure-function relationships of these proteins, for the design of new inhibitors and construction of improved biocatalysts. CAVER is a software tool widely used for the identification and characterization of transport pathways in static macromolecular structures. Herein we present a new version of CAVER enabling automatic analysis of tunnels and channels in large ensembles of protein conformations. CAVER 3.0 implements new algorithms…

• GA
  Grantová Agentura České Republiky

  Awards: CZ.1.05/1.1.00/02.0123, 229603, P202/10/1435, CZ.1.05/2.1.00/01.0001, P503/12/0572
• AV
  Akademie Věd České Republiky

  Award: LM2010005
• VU
  Vysoké Učení Technické v Brně
• ER
  European Regional Development Fund

  Awards: CZ.1.05/2.1.00/01.0001, LM2010005, CZ.1.05/1.1.00/02.0123