PRosettaC: Rosetta Based Modeling of PROTAC Mediated Ternary Complexes

Zaidman, Daniel, Prilusky, Jaime, London, Nir·2020·Journal of Chemical Information and Modeling

Cited by (227)

Items 101–200 of 227

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  2. Protein–Protein Interaction Prediction for Targeted Protein Degradation
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  3. Proteolysis-targeting chimeras in biotherapeutics: Current trends and future applications
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  4. Methods for computer-assisted PROTAC design
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  5. An outlook on structural biology after A lpha F old: tools, limits and perspectives
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  6. PRosettaC outperforms AlphaFold3 for modeling PROTAC ternary complexes
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  8. From classic medicinal chemistry to state‐of‐the‐art interdisciplinary medicine: Recent advances in proteolysis‐targeting chimeras technology
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  9. Targeted degrader technologies as prospective SARS-CoV-2 therapies
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  10. MEGA PROTAC, MEGA DOCK-based PROTAC mediated ternary complex formation pipeline with sequential filtering and rank aggregation
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  11. Advancing target validation with PROTAC technology
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  12. PROTACting the kinome with covalent warheads
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  13. A Medicinal Chemistry Perspective on Protein Tyrosine Phosphatase Nonreceptor Type 2 in Tumor Immunology
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  14. A comprehensive primer and review of PROTACs and their In Silico design
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  15. Mapping the energy landscape of PROTAC-mediated protein-protein interactions
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  16. Bifunctional robots inducing targeted protein degradation
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  17. From serendipity to strategy: molecular glue degraders in cancer therapeutics
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  18. How to target membrane proteins for degradation: Bringing GPCRs into the TPD fold
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  19. Optimization of the PROTAC linker region of the proteasome substrate receptor hRpn13 rationalized by structural modeling with molecular dynamics
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  20. Harnessing the Power of Natural Products for Targeted Protein Degradation
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  21. Discovery of PXR Antagonist MI891 and PXR Degrader MI1013 and Their Roles in Hepatic Gene Regulation
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  22. Dégradation induite des protéines par des molécules PROTAC et stratégies apparentées : développements à visée thérapeutique
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  23. PROTAC-induced protein structural dynamics in targeted protein degradation
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  24. Development of PROTACs targeting estrogen receptor: an emerging technique for combating endocrine resistance
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  25. DNA-Templated Spatially Controlled Proteolysis Targeting Chimera for Cyclin D1–CDK4/6 Complex Protein Degradation
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  26. Reviewing the toolbox for degrader development in oncology
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  27. The rise of targeting chimeras (TACs): next-generation medicines that preempt cellular events
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  28. Atomic-Resolution Prediction of Degrader-mediated Ternary Complex Structures by Combining Molecular Simulations with Hydrogen Deuterium Exchange
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  30. Development of potent JAK1/2 PROTAC degraders for the treatment of inflammatory bowel diseases
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  32. Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design
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  33. N-Heterocycle based Degraders (PROTACs) Manifesting Anticancer Efficacy: Recent Advances
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  36. TRIM21-Driven Degradation of BRD4: Development of Heterobifunctional Degraders and Investigation of Recruitment and Selectivity Mechanisms
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  37. Data-Driven Generation of Conformational Ensembles and Ternary Complexes for PROTAC and Other Chimera Systems
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  38. Computational Modeling of PROTAC Ternary Complexes as Ensembles Using SILCS-xTAC
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  39. Methods to Study the Molecular Mechanism and Drive the Design of Protein Degraders
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  40. Design and Evaluation of PROTACs Targeting Acyl Protein Thioesterase 1
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  43. AI‐Based Prediction of PROTAC‐ and Molecular Glue‐Mediated Ternary Complexes: A Comparative Evaluation of AlphaFold 3 and Boltz‐2
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  44. HADDOCK-Guided modeling and molecular simulations of cereblon-based ternary complexes: Development of novel PROTACs for Ataxia telangiectasia and RAD3-Related (ATR) kinase
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  45. Mechanistic insights into PROTAC-mediated degradation through an integrated framework of molecular dynamics, free energy landscapes, and quantum mechanics: A case study on kinase degraders
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  46. P4ward: An Automated Modeling Platform for Protac Ternary Complexes
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  47. Targeted protein degradation in pancreatic cancer: advances and challenges of PROTAC-based therapeutics
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  48. Shotgun Approach for PROTAC Ternary Complex Modeling and Evaluation
    Tanfeng Zhao, Yi Qin Gao · 2025 · Journal of Chemical Information and Modeling
  49. Computational assessment of the binding modes of the first VHL-recruiting PROTACs designed for oncogenic KRas G12C
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  50. Exploiting Folding and Degradation Machineries To Target Undruggable Proteins: What Can a Computational Approach Tell Us?
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  51. Computational Modeling of PROTAC Ternary Complexes and Linker Design
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  52. Targeted degradation of EGFR 19Del by PROTACs suppresses tumor growth in non-small-cell lung cancer
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  53. Ternary Complex Geometry and Lysine Positioning Guide the Generation of PROTAC-Induced Degradable Complexes.
    Harish Kumar, M. E. Sobhia · 2026 · Journal of Physical Chemistry B
  54. Foundation models and AI agents in oncology drug discovery
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  56. Dual-function PROTAC suppresses ferroptosis and restores neuronal function via brain-targeted delivery
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  58. Benchmarking of PROTAC docking and virtual screening tools
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  60. Resolving Enzyme–Substrate–Activator Ambiguity: A Minimalist Enzyme Kinetic Framework for PROTAC Design and Optimization
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  62. Discovery of the First-in-Class Protein Arginine Methyltransferase 1 PROTAC Degrader
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  63. Degradation-based protein profiling in target identification and early-stage drug discovery of bioactive natural products
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