Latest updates for Drug-Docking

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Recent items include:

  • Researchers Use IBM Quantum Computer to Test Drug-Docking Method
  • SADRP: A structurally aware multi-modal framework for drug response prediction
  • A*STAR and NUS Researchers Achieve Qubit Compression for Bio-Molecular Docking on IBM Hardware

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thequantuminsider.com /1 month ago

Researchers Use IBM Quantum Computer to Test Drug-Docking Method

Insider Brief A team of Singapore-based researchers reports that a hybrid quantum-classical method could offer a new route to studying drug candidates using today’s Noisy Intermedi...

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journals.plos.org /1 day ago

SADRP: A structurally aware multi-modal framework for drug response prediction

by Ren Qi, Shujia Liu, Tianhong Quan, Tianru Wu, Alexey K. Shaytan, Bin Liu Motivation Predicting drug sensitivity across diverse cancer samples is a fundamental challenge in perso...

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quantumcomputingreport.com /1 month ago

A*STAR and NUS Researchers Achieve Qubit Compression for Bio-Molecular Docking on IBM Hardware

Illustration of the problem formalism and multi-basis encoding approach Researchers from Singapore’s Agency for Science, Technology and Research (A*STAR) and the National Universit...

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nanowerk.com /1 month ago

Crystalline sponge MOF reveals structures of large drug molecules from microgram samples

A flexible metal-organic framework called APF-40 reveals the 3D structures of large drug molecules from microgram-scale samples, including doramectin.

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journals.plos.org /1 week ago

MEGH-DDI: MolT5-driven edge-aware graph learning with Hop2Token representation for drug–drug interaction prediction

by Li Zhou, Yun Zuo, Wenying He, Zhaohong Deng Drug-drug interactions (DDIs) are critical in pharmacology, as synergistic or antagonistic effects between co-administered drugs can...

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journals.plos.org /1 month ago

Metal binding site alignment enables network-driven discovery of recurrent geometries across sequence-divergent proteins...

by Vetle Simensen, Eivind Almaas Metal-binding sites (MBSs) are critical determinants of protein stability and biological function, yet methods for comparing their local binding e...

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Sources covering Drug-Docking

journals.plos.org

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quantumcomputingreport.com

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thequantumdaily.com

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nanowerk.com

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