2 docs tagged with "inversefolding"

Protein design involves creating proteins with specific functions by manipulating their amino acid sequences. This process allows scientists to develop a range of applications, such as anti-cancer drugs (e.g., antibodies), gene editing tools (e.g., Cas9), laundry detergents (e.g., amylases), and digestible milk (e.g., lactases). While protein engineering typically refers to small modifications of natural proteins, protein design encompasses more extensive alterations. De novo protein design specifically refers to creating sequences from scratch.

ProteinMPNN is a GNN-based AI method for designing a protein sequence given a protein structure, a process known as structure-based design or inversefolding. ProteinMPNN uses various parameters to assist with protein design, including the temperature parameter, which controls diversity in the designs: values from 0.1 to 0.5 result in less diverse designs, while values of 0.5 and above lead to more diverse outcomes. LigandMPNN is coming soon.