Deep learning for prediction and optimization of fast-flow peptide synthesis

S Mohapatra, N Hartrampf, M Poskus, A Loas… - ACS central …, 2020 - ACS Publications
The chemical synthesis of polypeptides involves stepwise formation of amide bonds on an
immobilized solid support. The high yields required for efficient incorporation of each …

100th anniversary of macromolecular science viewpoint: data-driven protein design

AL Ferguson, R Ranganathan - ACS Macro Letters, 2021 - ACS Publications
The design of synthetic proteins with the desired function is a long-standing goal in
biomolecular science, with broad applications in biochemical engineering, agriculture …

Parallel automated flow synthesis of covalent protein complexes that can inhibit MYC-driven transcription

S Pomplun, M Jbara, CK Schissel… - ACS Central …, 2021 - ACS Publications
Dysregulation of the transcription factor MYC is involved in many human cancers. The
dimeric transcription factor complexes of MYC/MAX and MAX/MAX activate or inhibit …

Drug discovery paradigms: target-based drug discovery

C Herrera-Acevedo, C Perdomo-Madrigal… - Drug target selection …, 2022 - Springer
Target-based drug discovery tools have been used with success in the pharmaceutical
industry. They have become the fundamental methodologies for discovering new drugs in …

[PDF][PDF] Learning representations from mass spectra for peptide property prediction

M Murphy, K Yang, S Jegelka, E Fraenkel - icml-compbio.github.io
Peptide molecules have long been viewed as promising candidates for design of novel
therapeutics, and are likely to benefit from ML-guided approaches. However, learning to …