Article

Mirror Symmetry Drug Design (MSDD): A Parity-Inversion Framework for Generative De Novo Design of Proteolytically Stable Dual-Targeting D-Peptides against Bcl-2 and Mcl-1

2026-08-10

Abstract excerpt

<title>Abstract</title> <p>We report the Mirror Symmetry Drug Design (MSDD) framework, a novel computational method for the de novo generative design of proteolytically stable D-peptide inhibitors targeting protein--protein interactions (PPIs) that are inaccessible to current generative structural AI. State-of-the-art flow-matching models---trained on a Protein Data Bank composed of $>$99.9\% L-amino acids---exhi...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: 9a25bc9c-15d7-52b7-bdfb-e15760a51fbc
DOI: 10.21203/rs.3.rs-10477553/v1

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Mirror Symmetry Drug Design (MSDD): A Parity-Inversion Framework for Generative De Novo Design of Proteolytically Stable Dual-Targeting D-Peptides against Bcl-2 and Mcl-1DOI 10.21203/rs.3.rs-10477553/v1Read

Generative Drug Design in a Loop with dtSFMSemantic proximity Read

DrugHIVE: Target-specific spatial drug design and optimization with a hierarchical generative modelSemantic proximity Read

Generative AI Framework SynGlue for the Rational Design of Clinically relevant Protein DegradersSemantic proximity Read

De novo design of therapeutic scFvs and multi-specific engagers from sequence aloneSemantic proximity Read

Programming Biomolecular Interactions with All-Atom Generative ModelSemantic proximity Read

Structure-free, site-resolved contrastive learning extends small-molecule discovery beyond the reach of structure-based modelingSemantic proximity Read

A Drug–Target Specificity Foundation Model for Off-target Prediction, Repurposing, and Generative DesignSemantic proximity Read

SynPROTAC: synthesizable PROTACs design through synthesis constrained generative model and reinforcement learningSemantic proximity Read

Aiki-GeNano: Multi-Stage Preference Optimization for Generative Design of Developable NanobodiesSemantic proximity Read

ProChoreo: <i>de novo</i> Binder Design from Conformational Ensembles with Generative Deep LearningSemantic proximity Read

To Predict is to Design: Unlocking Generative Capabilities in All-Atom Structure Predictors via Geometric Score DistillationSemantic proximity Read

Generative AI for Drug Discovery and Protein Design: The Next Frontier in AI-Driven Molecular ScienceSemantic proximity Read