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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- Proteolysis Targeting Chimeric Molecules: Tuning Molecular Strategies for a Clinically Sound ListeningFederica Pedrucci, Claudia Pappalardo, Giovanni Marzaro, Nicola Ferri, Alberto Ferlin, Luca De Toni · 2022 · International Journal of Molecular Sciences
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- Targeted degrader technologies as prospective SARS-CoV-2 therapiesRabia Khurshid, Joseph M. Schulz, Jiaming Hu, Timothy S. Snowden, Robert C. Reynolds, Stephan C. Schürer · 2023 · Drug Discovery Today
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- A Medicinal Chemistry Perspective on Protein Tyrosine Phosphatase Nonreceptor Type 2 in Tumor ImmunologyQi Huang, Linghao Hu, Haowen Chen, Bingjie Yang, Xun Sun, Mingliang Wang · 2025 · Journal of Medicinal Chemistry
- A comprehensive primer and review of PROTACs and their In Silico designJacopo Zattoni, Paola Vottero, Gea Carena, Chiara Uliveto, Giulia Pozzati, Benedetta Morabito, Ebenezea Gitari, Jack A. Tuszyński, Maral Aminpour · 2025 · Computer Methods and Programs in Biomedicine
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- Bifunctional robots inducing targeted protein degradationMasilamani Elizabeth Sobhia, Harish Kumar, Sonia Kumari · 2023 · European Journal of Medicinal Chemistry
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- Harnessing the Power of Natural Products for Targeted Protein DegradationBo Zhu, Zheng Wu, Yiwen Shou, Kaili Zhao, Qinpei Lu, Jiang‐Jiang Qin, Hongwei Guo · 2025 · Medicinal Research Reviews
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- Targeted Protein Degradation of NUDT5 Reveals an Unexpected Non-Enzymatic Role in 6-Thioguanine-Mediated ToxicityAnne-Sophie M. C. Marques, Ludwig G. Bauer, Tuan Anh Nguyen, Alejandro Gonzalez Orta, Jan L. Venne, Lai Cheng, Esra Balıkçı, Barr Tivon, Nir London, Stefan Kubicek et al. · 2025 · bioRxiv (Cold Spring Harbor Laboratory)
- TRIM21-Driven Degradation of BRD4: Development of Heterobifunctional Degraders and Investigation of Recruitment and Selectivity MechanismsLiyun Zhang, Qingyang Wang, Xiaomei Li, Xuemin Cheng, Longying Cai, Anping Guo, Lanjun Zhang, Hong Hu, Mei Wu, Xianyang Li et al. · 2025 · Journal of Chemical Information and Modeling
- Data-Driven Generation of Conformational Ensembles and Ternary Complexes for PROTAC and Other Chimera SystemsFabio Montisci, Laura Friggeri, Kepa Koldo Burusco, Patrick McCabe, Bojana Popovic, Jason C. Cole · 2025 · Journal of Chemical Information and Modeling
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- Methods to Study the Molecular Mechanism and Drive the Design of Protein DegradersCharlotte Crowe, Alessio Ciulli · 2026 · Chemical Reviews
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- AI‐Based Prediction of PROTAC‐ and Molecular Glue‐Mediated Ternary Complexes: A Comparative Evaluation of AlphaFold 3 and Boltz‐2Lino Riepenhausen, Anne‐Christin Sarnow, Dina Robaa, Wolfgang Sippl · 2026 · Archiv der Pharmazie
- HADDOCK-Guided modeling and molecular simulations of cereblon-based ternary complexes: Development of novel PROTACs for Ataxia telangiectasia and RAD3-Related (ATR) kinaseAnne‐Christin Sarnow, Husam Nassar, Abdallah M. Alfayomy, Dina Robaa, Wolfgang Sippl · 2025 · Computers in Biology and Medicine
- Mechanistic insights into PROTAC-mediated degradation through an integrated framework of molecular dynamics, free energy landscapes, and quantum mechanics: A case study on kinase degradersAshis Kumar Nandy, Kiran Boppana, Samiron Phukan · 2025 · Journal of Computer-Aided Molecular Design
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- Computational assessment of the binding modes of the first VHL-recruiting PROTACs designed for oncogenic KRas G12CTanos C. C. França, Eleonore K. M. Delaire, Michael L. Drummond, Maximilian C. C. J. C. Ebert, Al Ajamian, Steven R. LaPlante · 2024 · New Journal of Chemistry
- Exploiting Folding and Degradation Machineries To Target Undruggable Proteins: What Can a Computational Approach Tell Us?Stefano Artin Serapian, Alice Triveri, Filippo Marchetti, Matteo Castelli, Giorgio Colombo · 2021 · ChemMedChem
- Computational Modeling of PROTAC Ternary Complexes and Linker DesignSven A. Miller, Grigorii V. Andrianov, Victoria Mischley, Khadija A. Wharton, Jesse J. Chen, John Karanicolas · 2022
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- 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
- Foundation models and AI agents in oncology drug discoveryYashwardhan Ghanwatkar, Pankaj Rajdeo, Ram I. Mahato · 2026 · Drug Discovery Today
- Linker-Driven Sampling of PROTAC-Induced Ternary ComplexesHongtao Zhao, Stefan Schießer, Christian Tyrchan, Werngard Czechtizky · 2026 · Journal of Medicinal Chemistry
- Dual-function PROTAC suppresses ferroptosis and restores neuronal function via brain-targeted deliveryTianyu Ma, Tianli Luo, Ming Wang · 2026 · Cell chemical biology
- Proximity‐Inducing Bifunctional Molecules Beyond PROTACsSophia Lai, Ashley E. Modell, Amit Choudhary · 2022
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- Rationalize the Functional Roles of Protein–Protein Interactions in Targeted Protein Degradation by Kinetic Monte Carlo SimulationsZhaoqian Su, Shanye Yin, Yinghao Wu · 2024 · The Journal of Physical Chemistry B
- An in-silico approach for novel molecular glue design by rationalizing known molecular glue mediated ternary complex formationBen Geoffrey A S, Nagaraj M. Kulkarni, Deepak Agrawal, Nivedita Bharti, Rajappan Vetrivel, Kishan Gurram · 2022 · bioRxiv (Cold Spring Harbor Laboratory)
- Computational approaches to aid PROTAC drug discoverySohini Chakraborti, Kirsten McAulay · 2025 · Elsevier eBooks
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- PROTAC-induced Protein Functional Dynamics in Targeted Protein DegradationKingsley Y Wu, Ta I Hung, Chia‐en A. Chang · 2024 · eLife
- DNA-templated spatially controlled proteolysis targeting chimeras for CyclinD1-CDK4/6 complex protein degradationRong Zheng, Abhay Prasad, Deeksha Satyabola, Yang Xu, Hao Yan · 2024 · bioRxiv (Cold Spring Harbor Laboratory)
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- PROTAC-induced Protein Structural Dynamics in Targeted Protein DegradationKingsley Y Wu, Ta I Hung, Chia‐en A. Chang · 2025 · eLife
- A Reliable and Sustainable Multicomponent Access to Protein DegradersIrene Preet Bhela, Alice Ranza, M. Teresa Serafini, Tracey Pirali · 2021
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