drug discovery Archives - High-Performance Computing News Analysis | insideHPC https://insidehpc.com/tag/drug-discovery/ At the Convergence of HPC, AI and Quantum Mon, 10 Jun 2024 17:41:23 +0000 en-US hourly 1 https://wordpress.org/?v=6.5.3 57143778 Livermore Lab and BridgeBio Announce Human Trials for HPC-Discovered Cancer Drug https://insidehpc.com/2024/06/llnl-and-bridgebio-announce-human-trials-for-hpc-discovered-cancer-drug/ https://insidehpc.com/2024/06/llnl-and-bridgebio-announce-human-trials-for-hpc-discovered-cancer-drug/#respond Thu, 06 Jun 2024 17:39:58 +0000 https://insidehpc.com/?p=94189

In what Lawrence Livermore National Lab said is "a substantial milestone for supercomputing-aided drug design," LLNL and BridgeBio Oncology Therapeutics  today announced clinical trials have begun for ....

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Classiq and Quantum Intelligence Partner on Drug Development https://insidehpc.com/2024/04/classiq-and-quantum-intelligence-partner-on-drug-development/ Thu, 04 Apr 2024 18:02:11 +0000 https://insidehpc.com/?p=93789

SEOUL, SOUTH KOREA and TEL AVIV, ISRAEL | April 04, 2024 — Quantum computing software company Classiq and Quantum Intelligence Corp. today announced the launch of joint research for drug development by applying quantum computing to pharmacology. The collaboration is under the auspices of Classiq’s Quantum Computing For Life Sciences & Healthcare Center, launched with NVIDIA […]

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Flatiron Institute Using Argonne HPC to Design Peptide-based Drugs with Quantum Mechanics https://insidehpc.com/2023/04/flatiron-institute-using-argonne-hpc-to-design-peptide-based-drugs-with-quantum-mechanics/ Fri, 28 Apr 2023 17:53:25 +0000 https://insidehpc.com/?p=91455 A team from the Flatiron Institute is leveraging supercomputing resources from the Argonne Leadership Computing Facility to advance the design of peptides with the aim of speeding up the search for promising new drugs. “Existing peptide drugs rank among our best medicines, but almost all of them have been discovered in nature. They’re not something […]

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QC Ware Launches Promethium for Pharmaceutical,  Chemical and Materials Discovery https://insidehpc.com/2023/04/qc-ware-launches-promethium-for-pharmaceutical-chemical-and-materials-discovery/ Mon, 17 Apr 2023 17:49:12 +0000 https://insidehpc.com/?p=91372

PALO ALTO, Calif., April 18, 2023 — QC Ware, a provider of chemistry simulation and machine learning solutions, today announced the release of Promethium, a modern software-as-a-service (SaaS) quantum chemistry platform designed to accelerate pharmaceutical, chemical and materials discovery. Promethium’s platform offers a range of capabilities designed to help companies overcome various challenges in the […]

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Silicon Mechanics Delivers 10x HPC Run Time Boost for Oklahoma Medical Research Foundation https://insidehpc.com/2023/01/silicon-mechanics-delivers-10x-hpc-run-time-boost-for-oklahoma-medical-research-foundation/ Mon, 30 Jan 2023 19:12:40 +0000 https://insidehpc.com/?p=90917

[SPONSORED CONTENT]   In biomedical research it’s accelerate or perish. Drug discovery is a trial-and-error process driven by simulations – faster simulations, enabled by compute- and data-intensive technologies, mean more runs in less time, resulting in errors identified and solutions achieved. Established in 1946, the Oklahoma Medical Research Foundation is a nonprofit research institute with more than 450 staff and over 50 labs studying cancer, heart disease, autoimmune disorders and aging-related diseases. OMRF discoveries led to the first, U.S.-approved therapy targeting sickle cell disease and the first approved treatment for neuromyelitis optica spectrum disorder, an autoimmune disease.  The foundation’s research is enabled in part by advanced technology – accelerated clusters and high-performance data storage that support workloads fueled by massive data sets.

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Dotmatics Launches Chemistry Solution for Small Molecule Drug Discovery https://insidehpc.com/2022/07/dotmatics-launches-chemistry-solution-for-small-molecule-drug-discovery/ Mon, 18 Jul 2022 11:22:14 +0000 https://insidehpc.com/?p=89930 Boston, July 18, 2022 – Dotmatics, an R&D scientific software company connecting science, data and decision-making, today announced the release of its Chemistry Solution for Small Molecule Drug Discovery, a package of scientific R&D applications, workflows and data management capabilities. The solution combines Dotmatics’ enterprise scientific platform with workflows and best practices derived from the […]

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Nvidia Partners with Schrödinger on Drug Discovery https://insidehpc.com/2021/04/nvidia-partners-with-schrodinger-on-drug-discovery/ Mon, 12 Apr 2021 19:41:07 +0000 https://insidehpc.com/?p=87340 SANTA CLARA, Calif.—GTC—April 12, 2021—NVIDIA today announced a strategic partnership with Schrödinger that harnesses NVIDIA DGX A100 systems to further expand the speed and accuracy of Schrödinger’s computational drug discovery platform and enable rapid, accurate evaluation of billions of molecules for potential development of therapeutics. The companies will optimize Schrödinger’s software platform — designed to […]

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3 National Labs Join ATOM Consortium for Drug Discovery https://insidehpc.com/2021/03/3-national-labs-join-atom-consortium-for-drug-discovery/ Tue, 30 Mar 2021 13:35:49 +0000 https://insidehpc.com/?p=87232 MARCH 29, 2021 — The Accelerating Therapeutics for Opportunities in Medicine (ATOM) consortium today announced the U.S. Department of Energy’s Argonne, Brookhaven and Oak Ridge national laboratories are joining the consortium to further develop ATOM’s artificial intelligence (AI)-driven drug discovery platform. The public-private ATOM consortium aims to transform drug discovery from a slow, sequential and high-risk process […]

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PolarisQB and Fujitsu Launch Drug Discovery Platform https://insidehpc.com/2020/03/polarisqb-and-fujitsu-launch-drug-discovery-platform/ Tue, 24 Mar 2020 08:01:27 +0000 https://insidehpc.com/?p=83286

Polarisqb has partnered with Fujitsu to create a ground-breaking drug discovery platform combining quantum-inspired technology, machine learning, hybrid quantum mechanics and molecular mechanics simulations (QM/MM). This new platform enables significantly faster, more cost-effective discovery of novel lead molecules to develop new drugs. Polarisqb and Fujitsu have begun a drug discovery project targeting Dengue Fever which has no approved treatments.

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Schrödinger Taps Google Cloud HPC Solution to Bolster Drug Discovery https://insidehpc.com/2020/03/schrodinger-taps-google-cloud-hpc-solution-to-bolster-drug-discovery/ Fri, 13 Mar 2020 16:01:07 +0000 https://insidehpc.com/?p=83167

Schrödinger has entered into a three-year agreement with Google Cloud to substantially increase the speed and capacity of its physics-based computational platform for drug discovery. "We’re excited to harness Google Cloud’s highly scalable system to run extensive free energy calculations to assess binding affinities through our compute-intensive FEP+ application. This partnership also enables us to further leverage BigQuery to analyze important molecular properties nearly instantaneously," said Shane Brauner, Schrödinger’s Chief Information Officer. "This partnership is expected to allow us to expand the use of our physics-based computational platform to continue to rapidly explore very large swaths of chemical space."

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