Email updates

Keep up to date with the latest news and content from BMC Structural Biology and BioMed Central.

Open Access Highly Accessed Research article

Modeling structure and flexibility of Candida antarctica lipase B in organic solvents

Peter Trodler and Jürgen Pleiss*

Author Affiliations

Institute of Technical Biochemistry, University of Stuttgart, Allmandring 31, D-70569 Stuttgart, Germany

For all author emails, please log on.

BMC Structural Biology 2008, 8:9  doi:10.1186/1472-6807-8-9

Published: 6 February 2008

Additional files

Additional file 1:

Hydrophobicity of CALB. Surface of CALB colored by hydrophobicity (hydrophobic parts red; hydrophilic parts white)

Format: PDF Size: 63KB Download file

This file can be viewed with: Adobe Acrobat Reader

Open Data

Additional file 2:

Cluster I – Structure. Structure of cluster I in the simulation of CALB in cyclohexane, water molecules are displayed as red and white spheres

Format: PDF Size: 66KB Download file

This file can be viewed with: Adobe Acrobat Reader

Open Data

Additional file 3:

Cluster I – Ligands. Coordination of water molecules in cluster I in the simulation of CALB in cyclohexane

Format: PDF Size: 15KB Download file

This file can be viewed with: Adobe Acrobat Reader

Open Data

Additional file 4:

Cluster II – Structure. Structure of cluster II in the simulation of CALB in cyclohexane, water molecules are displayed as red and white spheres

Format: PDF Size: 57KB Download file

This file can be viewed with: Adobe Acrobat Reader

Open Data

Additional file 5:

Cluster II – Ligands. Coordination of water molecules in cluster II in the simulation of CALB in cyclohexane

Format: PDF Size: 12KB Download file

This file can be viewed with: Adobe Acrobat Reader

Open Data

Additional file 6:

Parameters of solvent models. The parameters of the solvent models cyclohexane, isopentane and toluene parametrized by ab initio geometry optimization

Format: PDF Size: 64KB Download file

This file can be viewed with: Adobe Acrobat Reader

Open Data

Additional file 7:

Data of solvent Boxes. Equilibration of solvent boxes by molecular dynamics simulations

Format: PDF Size: 362KB Download file

This file can be viewed with: Adobe Acrobat Reader

Open Data