June 14, 2023
Report

De Novo Design of Molecular Recognition for Sequence Defined Polymers

Abstract

The proposed research aims at developing a computational framework that allows the de novo design of sequence defined polymers for molecular recognition. This framework will include the prediction of the 1) accessible backbone conformational space in solution environments for small to medium polymer length and 2) how side chains of different size and functionality can be used to design convergent or divergent receptor configurations. A structural database inspired by the protein database will be build that can be used to construct larger scaffolds based on smaller sequences

Published: June 14, 2023

Citation

Baer M.D. 2020. De Novo Design of Molecular Recognition for Sequence Defined Polymers Richland, WA: Pacific Northwest National Laboratory.