First-of-its-kind quantum-enhanced lead optimization is now available on GPUs
BOSTON, Jan. 23, 2024 /PRNewswire-PRWeb/ -- Quantum Simulation Technologies, Inc. (QSimulate) announces the immediate availability of QUELO-G, QUantum-Enhanced Lead Optimization on GPUs. Dozens of innovative biotech companies are already taking advantage of the power of QUELO to accelerate their drug pipelines. Today, QSimulate is expanding its offering to companies that are investing in GPU hardware. Enabled by best-in-class quantum mechanics expertise and software development, QSimulate has re-engineered its quantum mechanics engine from the ground up, creating a new engine, GECQO, optimized for the latest GPU architectures. GECQO allows QUELO-G to achieve unprecedented calculation throughput with the uncompromised accuracy of quantum mechanics.
QUELO(-G) enables quantum-enhanced small-molecule lead optimization by directly applying quantum mechanics (QM) to free energy perturbation (FEP) experiments. QUELO's QM-based methods are revolutionizing computational drug design by delivering, for the first time, accurate binding energy predictions for classes of challenging ligands and targets. Ligand classes include covalent, halogenated, highly polarizable, and charged compounds, with targets that include metalloproteins and non-protein targets.
Using QUELO-G, 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. Before the development of GECQO and QUELO-G, it was not possible to scale quantum mechanics calculations on current GPU architectures. QSimulate's unique combination of quantum mechanics expertise and software engineering enables QUELO-G to deliver calculations with quantum mechanical accuracy at the speed necessary for the rapid pace of today's discovery timelines.
QUELO-G is part of QSimulate's broad initiative to use quantum mechanics to fundamentally improve the applicability, reliability, and value of computational methods in all facets of drug discovery, from small molecules to biologics. For more information, visit the QUELO-G webpage.
About QSimulate
Founded in 2019 and headquartered in Boston, MA, QSimulate is a leader in quantum simulation technology for industry research and development. The company offers a range of products and services designed to leverage the power of quantum mechanics to solve industrial-scale problems like never before. To learn more, visit https://qsimulate.com/, or contact QSimulate at [email protected].
Media Contact
Trevor Barsamian, QSimulate, 1 6172494828, [email protected], https://qsimulate.com/
SOURCE QSimulate
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