This work presents MG2Act, a structure-independent framework that translates two-step logic into sequential cross-attention, using CRBN-mediated degradation as the most data-rich representative system.
DegradeQuery, a context-aware prediction framework that converts label-missing records into a pretraining signal, is introduced and demonstrates that incompletely labeled PROTAC databases contain useful relational supervision and provide a practical route for learning context-aware degradation predictors from scarce ex...
Dong Xu, Zhang-Fan Yang, Jian-Tao Wu et al.· 0 citations
By combining protein language model embeddings with topology-adaptive geometric reasoning, DiConSite offers a reusable framework for residue-level protein interaction analysis and achieves consistently strong and often best-performing results, while improving robustness to structural uncertainty and cross-modal variati...
Shou-Zhi Chen, Zhen-Chao Tang, Lin-Lin You et al.· IEEE Transactions on Pattern...· 1 citation
EvoBind-multimer is presented, a deep learning framework for the de novo design of molecular glues directly from protein sequences that generates small macrocyclic peptides that bridge user-defined protein pairs without requiring prior interface knowledge or existing ligands.
Andrä Brunner, Krzysztof Wierbiłowicz, Diandra Daumiller et al.· bioRxiv· 0 citations
A Perspective on computational PROTAC methodologies published from 2019 to the present is presented, organizing the field into two complementary streams: constraint-driven, physics-based workflows that assemble and refine ternary complex models by enforcing geometric feasibility and evaluating pose stability using dock...
Joseph M. Schulz, R. Reynolds, S. Schürer· Journal of Chemical Informat...· 0 citations
A hierarchical benchmark designed to expose evaluation pitfalls and quantify the transferability and reliability limits of current PROTAC predictors is presented, repositioning PROTAC prediction as a problem of transferability and reliability rather than leaderboard optimization and provide practical guidelines for fut...
Ren Zhu, Guang-Hao Guo, Lu-Lu Li et al.· Computational biology and ch...· 0 citations
This pipeline identified 6 known and 43 novel CRBN-pomalidomide binders, including orthogonally validated hits that provide privileged starting points for MGD development, and expects this binding-focused workflow to be applicable to other MGD-E3 ligase systems, potentially extending the scope of this emerging drug cla...
Pius Galli, Shuhao Xiao, Y. Meng et al.· Nature Biotechnology· 1 citation
We use cookies to run the site and, with your consent, for analytics and to show ads.
See our Cookie Policy.