• CLC Drug Discovery Workbench

CLC Drug Discovery Workbench

售前试用
CLC Drug Discovery Workbench is based on CLC bio’s market-leading platform for data analysis, and comes with CLC bio sequence analysis tools integrated:Molecule Structure VisualizationMolecule 3D

CLC Drug Discovery Workbench is based on CLC bio’s market-leading platform for data analysis, and comes with CLC bio sequence analysis tools integrated:

Molecule Structure Visualization

  • Molecule 3D structure import: Mol2, SDF, PDB

  • Direct download of PDB structures from NCBI

  • Quick-style options including ball-n-sticks and molecular surfaces

  • Custom visualization applied to selected atoms

  • Save molecule visualizations on data

  • Molecule tables with 2D depiction of molecules

Chemical Awareness

  • Generate molecule 3D structure from SMILES or 2D representation*

  • Automatic assignment of missing atom and bond properties

  • Automatic binding site setup

  • Chemical consistency checker

  • Lipinski’s rule of five check

Structure Based Drug Discovery

  • Binding pocket finder

  • Easy, graphical protein target setup

  • Fast track molecular docking

  • Optimize ligand interactions in binding site

  • Virtual screening

  • Repair or change amino acids

  • Calculate molecular properties

  • Protein structure and binding site alignment

Sequence Analysis and Modeling

  • Search for sequences at UniProt

  • Create protein structure homology model

  • BLAST

  • Sequence alignment and phylogenetic trees

  • Sequence alignment and phylogenetic trees

* The freely available program Balloon is used as an engine for generating 3D coordinates for the molecule on import


Links

CLC Drug Discovery Workbench



Screenshots

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