Next-generation quantum mechanics revolutionizes drug lead optimization.

QUELO: Next-generation drug discovery enabled by QM-powered FEP

With QUELO, the science speaks for itself. Our rigorous integration of quantum mechanics with free energy calculations creates accurate results without any shortcuts or sacrifices in the validated FEP approach.

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QUELO Highlights

Unleashing Quantum FEP

QUELO delivers the accuracy of quantum mechanics without sacrificing the scientific rigor of classical FEP.

Resolving Long-standing FEP Challenges

QUELO reliably predicts binding affinities for traditionally challenging systems like highly polarizable functional groups, charged ligands, metalloprotein targets and RNA.

Maintaining the FEP Feel

QUELO offers the same user experience as classical FEP thanks to a fully automated, intuitive front-end portal. All normal controls and options that a user might specify for MM-based FEP remain the same for our software.

Accelerating Quantum Turnarounds

Our revolutionary parallelization technique for both MM and QM parts of the engine eliminates the time and cost hurdles that have long plagued past QM technologies. With the QM calculation time reduced to as low as 0.1 seconds per time step, our QM/MM molecular dynamics can achieve a throughput of up to a nanosecond a day.

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Next-Generation Quantum Mechanics Revolutionizes Drug Lead Optimization.