In silico Strategies for Engineering Peptides and Proteins with Enhanced Properties
Time: 10:15 am
day: Pre-Conference Workshop Day
Details:
Functional enhancement of existing properties and introduction of new functionalities are important objectives in the development of therapeutic peptides, antibodies and industrial enzymes. These goals are commonly achieved through multiple time-consuming rounds of directed evolution. Incorporation of computational structure-based methods grounded in physics can accelerate this process by enabling reliable prediction of the location and identities of potentially beneficial mutations. The end result is a handful of productive variants prioritized for expression or a small enriched library that simplifies variant screening.
Learn From Schrödinger’s experts who will discuss strategies for:
- Refinement and preparation of experimental structures to make them suitable for modeling, or generation of 3D models when experimental structures are not available
- Computational alanine scanning to identify mutagenic hotspots
- Exhaustive in silico mutagenesis to predict mutations that enhance stability, potency and selectivity
- Prioritization and selection of variants for gene synthesis and expression
