Introducing "Rosetta", a library for polymer modeling

Introducing "Rosetta", a group of software libraries for polymer modeling.

Rosetta is a flexible and highly functional library for accomplishing versatile biomolecule modeling tasks.

About Rosetta

A versatile and versatile polymer modeling software that helps you understand protein structure, protein design, protein docking, protein-DNA and protein-protein interactions.Apply algorithms and statistical methods to analyze large datasets of protein sequences, DNA, RNA, etc.In computational biology, de novo protein prediction (de novo), enzyme design, ligand docking calculation, and structure prediction of biopolymers and biopolymers are possible.

Rosetta can be used for experiments on a wide range of scales, not only for large datasets, but also for small datasets.

About the development of Rosetta

Rosetta started as a protein structure prediction tool in the laboratory of Dr. David Baker at the University of Washington.Today, it goes beyond the University of Washington and is being developed by members of Rosetta Commons, including government laboratories, research institutes, research centers, and partner companies.

The hub for Rosetta modeling software (Rosetta Commons)
https://www.rosettacommons.org/

 

Major features

Rosetta contains multiple functional modules such as RosettaAbinitio (de novo protein prediction) and RosettaDesign (identification of low free energy sequences for the backbone of the target protein), including proteins, RNA, DNA, peptides, small molecules, and non-proteins. Predict, design, and analyze a variety of biomolecular systems, including normal or derivatized amino acids.

Rosetta protocol example

  • Rosetta Abinitio: deno vo Protein Structure Prediction
  • RosettaDesign: Identification of low free energy sequences for the backbone of the target protein
  • RosettaDock: Protein-Protein Complex Structure Prediction (Monomer)
  • Rosetta DNA: For designing proteins that interact with specific DNA sequences
  • RosettaRNA: RNA fragment assembly
  • Rosetta Ligand: Small Molecule-Protein Docking
  • RosettaEnzdes: Enzyme Design
  • RosettaMatdes: Material design etc.

The source code for most protocols is written in C ++ or Python, or any other language, and uses Rosetta's flexible molecular modeling library to perform specific modeling tasks.These protocols can be self-contained, used in sequence to accomplish more complex tasks, combined with different applications, or chained together.

 

Rosetta application example

  • Structure prediction: Loop modeling, RNA and RNA / protein
  • docking: Antibodies, ligands, peptide docking
  • Molecular design: Design of small molecules, RNA, DNA, secondary structure
  • Membrane protein modeling
  • analysis: Scoring, clustering, etc.

The beginning was to analyze the three-dimensional structure of a protein from the amino acid sequence of the protein (de novo protein structure prediction), but current applications are widely used, such as enzyme design to predict the amino acid sequence from the three-dimensional structure of an enzyme. I am.

 

About License

Rosetta has an academic license for academic, non-profit, and government agencies (Rosetta Academic License / Free of charge) And commercial licenses for commercial organizations (Commercial Licence) there is.You can choose either a one-year contract or a four-year contract for the license period.

* Available on Windows, Linux, and macOS.