Experimental structure determination involves difficult methods that require a significant amount of expertise and resources. Protein Modeling on the other hand enables access to sensible structural models in much shorter periods of time. The major aim of protein modeling is the prediction of a protein’s tertiary structure from its primary structure. To this end a diverse range of approaches have been developed comparative, de novo or ab initio structure prediction.

The protein modeling methods provided in Discovery Studio provide an extensive set of tools for the construction of molecular structures and analysis of their behavior.

Protein Modeling in Accelrys Discovery Studio 2.1

Protein Modeling in Accelrys Discovery Studio 2.1

Analysis Goals

Protein Modeling provides tools and protocols that allow you to:

  • Build and edit proteins or peptides
  • Modify protein structures and generate reports of protein structures
  • Identify and report abnormalities in a protein structure
  • Align sequences according to sequence similarity or structure similarity
  • Build homology models for a protein sequence
  • Refine side-chain conformation of a protein structure
  • Refine conformation of one or more loop regions of a protein structure
  • Mutate residues and optimize structure
  • Predict protein docking conformations
  • Model antibody structure and variable loop conformations
  • Analyze the sequence conservation pattern of a sequence family
  • Identify conserved functional patches in a protein structure

Protein Modeling Tasks

The following table describes the basic tasks that are possible with the Protein Modeling methods in Discovery Studio. Click here for tutorial….