Quantum annealing-based molecular docking can identify ligand conformations that disrupt coordinated deviations in protein-protein interaction networks, leading to novel drug targets.
Adversarial Debate Score
48% survival rate under critique
Model Critiques
Supporting Research Papers
- A Physically-Informed Subgraph Isomorphism Approach to Molecular Docking Using Quantum Annealers
Molecular docking is a crucial step in the development of new drugs as it guides the positioning of a small molecule (ligand) within the pocket of a target protein. In the literature, a feasibility st...
- Binary Latent Protein Fitness Landscapes for Quantum Annealing Optimization
We propose Q-BIOLAT, a framework for modeling and optimizing protein fitness landscapes in binary latent spaces. Starting from protein sequences, we leverage pretrained protein language models to obta...
- Unraveling the Mechanism of Drug Binding to SARS-CoV-2 RNA Pseudoknot with Thermodynamics-Driven Machine Learning
The SARS-CoV-2 RNA pseudoknot is a promising target for antiviral intervention, as it regulates the efficiency of -1 programmed ribosomal frameshifting (-1 PRF), a mechanism that is essential for vira...
- A note on large-scale quantum chemistry on quantum computers: the case of a molecule with half-Möbius topology
We report quantum chemistry calculations performed on superconducting quantum processors for a molecule exhibiting the half-Möbius electronic topology originally introduced by Rončević et al. Using Sq...
Formal Verification
Z3 checks whether the hypothesis is internally consistent, not whether it is empirically true.