protein
Technology:
Stochastic Optimal Control for Collective Variable Free Sampling of Molecular Transition Paths Lars Holdijk University of Oxford Y uanqi Du
We show that our method successful generates low energy transitions for Alanine Dipeptide as well as the larger Polyproline and Chignolin proteins.
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Technology:
Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials
Then we propose a platform, coined Geom3D, which enables benchmarking the effectiveness of geometric strategies.
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- Information Technology > Data Science (0.93)
F ABind: Fast and Accurate Protein-Ligand Binding
However, these methods have notable limitations.
Technology:
DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening Bowen Gao
Following this thought, we recast virtual screening as an information retrieval task, i.e., given a
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Technology:
Pre-Training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction
Code will be released upon acceptance.
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Technology:
Injecting Multimodal Information into Rigid Protein Docking via Bi-level Optimization
The structure of protein-protein complexes is critical for understanding binding dynamics, biological mechanisms, and intervention strategies.
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- Information Technology > Artificial Intelligence > Representation & Reasoning (1.00)
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- Information Technology > Artificial Intelligence > Machine Learning > Statistical Learning (0.94)
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