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QSP Life
Unique quantum-powered methods for drug discovery and optimization
Quantum mechanics is empowering the next generation of drug discovery.
QSimulate's scientific expertise & proprietary technology is uniquely positioned to spearhead this transition.
Features & Functions
FEATURE 01
QUELO: Next generation drug discovery enabled by QM-powered FEP
By rigorously integrating quantum mechanics with free energy calculations, QUELO avoids the inaccuracies and limitations of molecular mechanics without any sacrifices or shortcuts in the validated FEP approach.
QuantumFP: High-throughput Quantum Fingerprinting for Drug-like Molecules
Optimized for the scalability of cloud computing resources and designed to efficiently generate quantum mechanical fingerprint data for large machine learning models. It automates the labor-intensive and error-prone aspects of the process used to generate quantum data at scale.
Quantum mechanics can readily evaluate the effects of covalent bond formation utilizing automated approaches that can be integrated into dock scoring, AI/ML workflows, and applied toward goals such as warhead tuning.
FEATURE 04
Peptide lead optimization with machine learning force fields
Machine learning is used to generate molecular models that deliver quantum mechanical precision to long-timescale molecular dynamics simulations. These force fields achieve quantum level accuracy at a lower cost.
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