17 citations · 32 across the 4 of their papers we have counts for
5 papers
pCoMole: Pareto-Constrained Molecule Editing with Discrete Flows
Tong Chen, Maximilian Holsman, Lin Zhao +1
Biomolecular therapeutics often start from known sequences and require targeted editing to improve multiple properties while satisfying hard biochemical and manufacturability const…
Rethinking Benchmarks and Models for Enzyme Specificity Prediction
Elizabeth H. Mahood, Natália Komorníková, Tomáš Pluskal +1
Artificial Intelligence has had a profound impact on the biological sciences, and in particular has accelerated research on protein form and function. Enzymes are no exception: a s…
PepTune: De Novo Generation of Therapeutic Peptides with Multi-Objective-Guided Discrete Diffusion
Sophia Tang, Yinuo Zhang, Pranam Chatterjee
We present PepTune, a multi-objective discrete diffusion model for simultaneous generation and optimization of therapeutic peptide SMILES. Built on the Masked Discrete Language Mod…
PepDoRA: A Unified Peptide Language Model via Weight-Decomposed Low-Rank Adaptation
Leyao Wang, Rishab Pulugurta, Pranay Vure +3
Peptide therapeutics, including macrocycles, peptide inhibitors, and bioactive linear peptides, play a crucial role in therapeutic development due to their unique physicochemical p…
PepMLM: Target Sequence-Conditioned Generation of Therapeutic Peptide Binders via Span Masked Language Modeling
Tianlai Chen, Madeleine Dumas, Rio Watson +17
Target proteins that lack accessible binding pockets and conformational stability have posed increasing challenges for drug development. Induced proximity strategies, such as PROTA…