QUELO

QUELO is the world's best computational lead optimization solution

Powered by quantum, QUELO delivers the most accurate predictions for drug lead optimization. QUELO is more cost-effective than any other commercial offerings. Start using QUELO today to supercharge your discovery.

QUELO Experience

Testimonials

Woody Sherman

Chief Innovation Officer, Psivant Therapeutics

“We believe that a rigorous quantum mechanical treatment of molecules will play a pivotal role in the future of drug discovery. QSimulate is at the forefront of developing QM-based tools that are transforming how we approach pharma research. We're thrilled to collaborate with them and integrate QUELO FEP and QuantumFP into our physics-based discovery platform to push the boundaries of what's possible in small molecule therapeutics.”

Michael Bartberger

Senior Vice President, Computational Chemistry, Alterome Therapeutics

“We at Alterome have been pleased with the performance of the QUELO suite in our drug discovery campaigns. Furthermore, the ability to incorporate quantum mechanics into dynamics-based relative free energy methods bodes well for increasing the predictive accuracy of RBFE calculations against challenging targets.”

Govindan Subramanian

Senior Director, Computational Chemistry, Architect Therapeutics

“At Architect Therapeutics, we believe that computer-aided drug design is essential for accelerating the discovery of novel drugs. We are thrilled to integrate QSimulate's advanced physics-based models into our research. Their QUELO FEP calculations offer a precise and efficient approach which can enhance our lead optimization efforts.”

QUELO: Lead optimization at quantum accuracy

QUELO applies quantum mechanics directly to drug binding affinity predictions using free energy perturbation (FEP), enabling, for the first time, accurate simulation for systems with highly polarizable functional groups, charged ligands, metalloprotein targets, covalent binders, and RNA targets.

Quantum accuracy at an astonishing throughput

QUELO screens >25 ligands per day using quantum on eight L40S GPUs. By combining scientific breakthroughs, algorithmic innovation, and extraordinary software engineering, the computing cost of quantum mechanical simulation is no longer an obstacle!

Get In Touch
info@qsimulate.com
+1-(617)249-4828
20 Guest St, STE 101, Boston, MA 02135, USA

QUELO

Next-generation quantum mechanics revolutionizes drug lead optimization.

QUELO is the world's best computational lead optimization solution

QUELO Experience

Testimonials

Woody Sherman

Michael Bartberger

Govindan Subramanian

QUELO: Lead optimization at quantum accuracy

Quantum accuracy at an astonishing throughput

QUELO

Next-Generation Quantum Mechanics Revolutionizes Drug Lead Optimization.

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