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Workshop
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FlexiDock: Compositional diffusion models for flexible molecular docking
Zichen Wang · Balasubramaniam Srinivasan · Zhengyuan Shen · George Karypis · Huzefa Rangwala
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Workshop
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Learning Scalar Fields for Molecular Docking with Fast Fourier Transforms
Bowen Jing · Tommi Jaakkola · Bonnie Berger
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Workshop
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Learning Scalar Fields for Molecular Docking with Fast Fourier Transforms
Bowen Jing · Tommi Jaakkola · Dr. Bonnie Berger
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Workshop
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Sat 7:30
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Contributed talk | The Discovery of Binding Modes Requires Rethinking Docking Generalization
Gabriele Corso · Arthur Deng · Nicholas Polizzi · Regina Barzilay · Tommi Jaakkola
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Workshop
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The Discovery of Binding Modes Requires Rethinking Docking Generalization
Gabriele Corso · Arthur Deng · Nicholas Polizzi · Regina Barzilay · Tommi Jaakkola
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Workshop
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Learning Scalar Fields for Molecular Docking with Fast Fourier Transforms
Bowen Jing · Bowen Jing · Tommi Jaakkola · Tommi Jaakkola · Bonnie Berger
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Workshop
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DiffDock-Site: A Novel Paradigm for Enhanced Protein-Ligand Predictions through Binding Site Identification
Huanlei Guo · Song LIU · Mingdi HU · Yilun Lou · Bingyi Jing
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Workshop
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DiffDock-Site: A Novel Paradigm for Enhanced Protein-Ligand Predictions through Binding Site Identification
Huanlei Guo · Song LIU · Mingdi HU · Yilun Lou · Bingyi Jing
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Workshop
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UMD-fit: Generating Realistic Ligand Conformations for Distance-Based Deep Docking Models
Eric Alcaide · Ziyao Li · Hang Zheng · Zhifeng Gao · Guolin Ke
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Workshop
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Searching for High-Value Molecules Using Reinforcement Learning and Transformers
Raj Ghugare · Santiago Miret · Adriana Hugessen · Mariano Phielipp · Glen Berseth
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Workshop
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DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
Wei Lu · Jixian Zhang · Huang Weifeng · Ziqiao Zhang · Chengtao Li · Shuangjia Zheng
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