Sep 2026· IEEE transactions on computational biology and bioinformatics· Vol PP, pp. 1-14· 0 citations
Medicine
TL;DR
AlloPoc is a novel framework that integrates multi-modal protein language model (PLM) representations with biochemical features for accurate allosteric pocket prediction and achieves state-of-the-art performance, surpassing existing methods including AlloFusion, DeepAllo, and AlloPED.
MultiGeo is a DTA prediction framework that explicitly leverages multiple protein conformations rather than a single snapshot, and introduces a disagreement-aware gating mechanism that adaptively fuses this ensemble representation with the dominant structure only when the additional conformers provide complementary inf...
Rui-Da Zeng, Cheng Guo, Ya-Jie Meng et al.· Proceedings of the Thirty-Fi...· 0 citations
HelixDTA is introduced, a deep learning framework featuring a parallel dual-branch architecture that independently learns representations from two distinct but complementary modalities: sequence context and complete target structures that demonstrates significant potential to empower precision drug design and accelerat...
Shang Lou, Xu-Hua Li, Yu-Jie Peng et al.· Journal of Chemical Informat...· 0 citations
Unraveling the precise mechanisms of protein-ligand recognition remains a cornerstone of structure-based drug discovery. While recent deep learning advances have accelerated computational screening, a critical bottleneck persists: binding pocket characterization is often rigidly disconnected from the querying molecule'...
Yun-Feng Li, Xing-Yu Liu, Yi-Jia Liu et al.· European journal of medicina...· 0 citations
BindCORE is introduced, an ensemble-aware deep learning framework that integrates global, local, and pairwise biophysical descriptors to predict interaction sites within IDRs and shows that conformational ensembles contain interpretable determinants of LIP and MoRF binding residues.
Nicolas Buton, Luiz Felipe Piochi, Hammed Khakzad· bioRxiv· 0 citations
By integrating structure selection with binding-preference inference, PRIS provides an efficient framework for large-scale RNA library screening and aptamer design.
Yi-Hao Zhao, Jing Han, Ji-Ke Wang et al.· bioRxiv· 0 citations
The proposed MSIGR-PLA is an integrative framework that integrates local multi-scale interaction features with global protein-ligand representations to improve the accuracy of PLA prediction and consistently outperforms existing methods on four benchmark datasets.
Hangchen Zhang, Haoran Chen, Chang Liu et al.· IEEE journal of biomedical a...· 0 citations
We use cookies to run the site and, with your consent, for analytics and to show ads.
See our Cookie Policy.