With QUELO's quantum-powered AI force field, easily access quantum accuracy at the speed of classical throughput, striking the optimal balance of accuracy and efficiency for many lead optimization problems.
Through the industry's first quantum-mechanics-based FEP, QUELO enables FEP simulations of ligands and targets that were otherwise intractable, including covalent binders, binders to metalloproteins, etcetera.
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QUELO's quantum-powered AI force field delivers greater accuracy, approaching QM, with the throughput of traditional methods. Direct QM treatment is available for the most challenging cases.
With QUELO, accurate binding affinity predictions for complex systems such as covalent binders, highly polarizable functional groups, charged ligands, metalloprotein targets, and RNA are no longer a daunting task.
QUELO offers the same user experience as traditional FEP tools 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.
With QM/MM MD throughput surpassing 100 nanoseconds per day, researchers can complete calculations with quantum mechanical accuracy within a fraction of a day, massively accelerating project timelines, and delivering significant value to their research pipelines.