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32 Results
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Workshop
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Applying Deep Reinforcement Learning to the HP Model for Protein Structure Prediction Kaiyuan Yang · Houjing Huang · Olafs Vandans · Adithyavairavan Murali · Fujia Tian · Roland Yap · Liang Dai |
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Workshop
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Peptide-MHC Structure Prediction With Mixed Residue and Atom Graph Neural Network Antoine Delaunay · Yunguan Fu · Alberto Bégué · Robert McHardy · Bachir Djermani · Liviu Copoiu · Michael Rooney · Andrey Tovchigrechko · Marcin Skwark · Nicolas Lopez Carranza · Maren Lang · Karim Beguir · Ugur Sahin |
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Workshop
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AI-assisted chemical reaction impurity prediction and propagation Somesh Mohapatra · Daniel Griffin |
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Workshop
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Sat 9:00 |
Dynamic-backbone protein-ligand structure prediction with multiscale generative diffusion models Zhuoran Qiao · Weili Nie · Arash Vahdat · Thomas Miller · Anima Anandkumar |
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Workshop
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Sat 11:25 |
EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation Jae Hyeon Lee · Payman Yadollahpour · Andrew Watkins · Nathan Frey · Andrew Leaver-Fay · Stephen Ra · Vladimir Gligorijevic · Kyunghyun Cho · Aviv Regev · Richard Bonneau |
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Workshop
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MoleculeCLIP: Learning Transferable Molecule Multi-Modality Models via Natural Language Shengchao Liu · Weili Nie · Chengpeng Wang · Jiarui Lu · Zhuoran Qiao · Ling Liu · Jian Tang · Anima Anandkumar · Chaowei Xiao |
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Workshop
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EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation Jae Hyeon Lee · Payman Yadollahpour · Andrew Watkins · Nathan Frey · Andrew Leaver-Fay · Stephen Ra · Vladimir Gligorijevic · Kyunghyun Cho · Aviv Regev · Richard Bonneau |
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Poster
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TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction Wei Lu · Qifeng Wu · Jixian Zhang · Jiahua Rao · Chengtao Li · Shuangjia Zheng |