Structure-based drug design : nature.com subject feeds

Channel: Structure-based drug design : nature.com subject feeds

Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as...

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April 28, 2023, 5:00 pm

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Scaffold repositioning of spiro-acridine derivatives as fungi chitinase...

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May 4, 2023, 5:00 pm

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From a drug repositioning to a structure-based drug design approach to tackle...

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May 28, 2023, 5:00 pm

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Deconstructing allostery by computational assessment of the binding...

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June 14, 2023, 5:00 pm

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Non-covalent inhibitors of thioredoxin glutathione reductase with...

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June 21, 2023, 5:00 pm

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Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4...

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July 3, 2023, 5:00 pm

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Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid...

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August 23, 2023, 5:00 pm

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Design principles for cyclin K molecular glue degraders

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September 6, 2023, 5:00 pm

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Discovery of a selective and biologically active low-molecular weight...

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September 6, 2023, 5:00 pm

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Unraveling the diversity of molecular glue degraders

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September 10, 2023, 5:00 pm

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Vepafestinib is a pharmacologically advanced RET-selective inhibitor with...

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September 20, 2023, 5:00 pm

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Four new triterpene saponins from Cephalaria speciosa and their potent...

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October 7, 2023, 5:00 pm

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Author Correction: Vepafestinib is a pharmacologically advanced RET-selective...

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October 8, 2023, 5:00 pm

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Structure-based design of a phosphotyrosine-masked covalent ligand targeting...

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October 9, 2023, 5:00 pm

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Computing the relative binding affinity of ligands based on a pairwise...

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October 18, 2023, 5:00 pm

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Tuning sterol extraction kinetics yields a renal-sparing polyene antifungal

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November 7, 2023, 4:00 pm

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Structure-based discovery of novel P-glycoprotein inhibitors targeting the...

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November 30, 2023, 4:00 pm

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Molecular jackhammers eradicate cancer cells by vibronic-driven action

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December 18, 2023, 4:00 pm

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Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA

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January 1, 2024, 4:00 pm

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Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R

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January 2, 2024, 4:00 pm

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Molecular fragmentation as a crucial step in the AI-based drug development...

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January 31, 2024, 4:00 pm

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SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality...

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February 5, 2024, 4:00 pm

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The druggability of SH2 domains unmasked

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February 14, 2024, 4:00 pm

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Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-XL by...

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February 16, 2024, 4:00 pm

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Linking ATP and allosteric sites to achieve superadditive binding with...

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February 19, 2024, 4:00 pm

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Homo-BacPROTAC-induced degradation of ClpC1 as a strategy against...

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March 4, 2024, 4:00 pm

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PocketFlow is a data-and-knowledge-driven structure-based molecular...

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March 10, 2024, 5:00 pm

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Equivariant 3D-conditional diffusion model for molecular linker design

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April 10, 2024, 5:00 pm

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Prospective de novo drug design with deep interactome learning

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April 21, 2024, 5:00 pm

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Group 3 medulloblastoma transcriptional networks collapse under domain...

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April 24, 2024, 5:00 pm

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