Cover Image

Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface Prediction

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Yu, Ziyang, Huang, Wenbing, Liu, Yang
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Biomolecules
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

ETDock: A Novel Equivariant Transformer for Protein-Ligand Docking
by: Yi, Yiqiang, et al.
Published: (2023)

SE(3)-Equivariant Ternary Complex Prediction Towards Target Protein Degradation
by: Xue, Fanglei, et al.
Published: (2025)

UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules
by: Yu, Ziyang, et al.
Published: (2025)

Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning
by: Kong, Xiangzhe, et al.
Published: (2023)

EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction
by: Zhang, Yang, et al.
Published: (2023)

MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding
by: Wu, Lirong, et al.
Published: (2024)

Force-Guided Bridge Matching for Full-Atom Time-Coarsened Dynamics of Peptides
by: Yu, Ziyang, et al.
Published: (2024)

Hierarchical Multi-Label Contrastive Learning for Protein-Protein Interaction Prediction Across Organisms
by: Liu, Shiyi, et al.
Published: (2025)

Few-shot Protein Fitness Prediction via In-context Learning and Test-time Training
by: Teufel, Felix, et al.
Published: (2025)

Docking-Aware Attention: Dynamic Protein Representations through Molecular Context Integration
by: Sicherman, Amitay, et al.
Published: (2025)

Open-Source Protein Language Models for Function Prediction and Protein Design
by: Pandi, Shivasankaran Vanaja, et al.
Published: (2024)

Multi-Scale Representation Learning for Protein Fitness Prediction
by: Zhang, Zuobai, et al.
Published: (2024)

ContactNet: Geometric-Based Deep Learning Model for Predicting Protein-Protein Interactions
by: Halfon, Matan, et al.
Published: (2024)

Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
by: Jing, Bowen, et al.
Published: (2023)

Deep Learning for Protein Complex Prediction and Design
by: Xie, Ziwei
Published: (2026)

Beyond Simple Concatenation: Fairly Assessing PLM Architectures for Multi-Chain Protein-Protein Interactions Prediction
by: Alsamkary, Hazem, et al.
Published: (2025)

EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
by: Costa, Allan dos Santos, et al.
Published: (2024)

In Silico Pharmacokinetic and Molecular Docking Studies of Natural Plants against Essential Protein KRAS for Treatment of Pancreatic Cancer
by: Kappan, Marsha Mariya, et al.
Published: (2024)

Steering Protein Language Models
by: Huang, Long-Kai, et al.
Published: (2025)

ProLLM: Protein Chain-of-Thoughts Enhanced LLM for Protein-Protein Interaction Prediction
by: Jin, Mingyu, et al.
Published: (2024)

Efficiently Predicting Mutational Effect on Homologous Proteins by Evolution Encoding
by: Zhong, Zhiqiang, et al.
Published: (2024)

Conformation-Aware Structure Prediction of Antigen-Recognizing Immune Proteins
by: Dreyer, Frédéric A., et al.
Published: (2025)

Insights Into the Inner Workings of Transformer Models for Protein Function Prediction
by: Wenzel, Markus, et al.
Published: (2023)

Protein-Mamba: Biological Mamba Models for Protein Function Prediction
by: Xu, Bohao, et al.
Published: (2024)

ProteinWeaver: A Divide-and-Assembly Approach for Protein Backbone Design
by: Ma, Yiming, et al.
Published: (2024)

PETIMOT: A Novel Framework for Inferring Protein Motions from Sparse Data Using SE(3)-Equivariant Graph Neural Networks
by: Lombard, Valentin, et al.
Published: (2025)

PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein Interaction Prediction
by: Wu, Lirong, et al.
Published: (2024)

A Protein Structure Prediction Approach Leveraging Transformer and CNN Integration
by: Zhou, Yanlin, et al.
Published: (2024)

Adaptive Protein Tokenization
by: Dilip, Rohit, et al.
Published: (2026)

Diffusion Language Models Are Versatile Protein Learners
by: Wang, Xinyou, et al.
Published: (2024)

Protein Design with Dynamic Protein Vocabulary
by: Liu, Nuowei, et al.
Published: (2025)

Towards Interpretable Protein Structure Prediction with Sparse Autoencoders
by: Parsan, Nithin, et al.
Published: (2025)

SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction
by: Huang, Yanwen, et al.
Published: (2024)

Directed Evolution of Proteins via Bayesian Optimization in Embedding Space
by: Soldát, Matouš, et al.
Published: (2025)

Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows
by: Zhou, Xiangxin, et al.
Published: (2025)

Multiview Random Vector Functional Link Network for Predicting DNA-Binding Proteins
by: Quadir, A., et al.
Published: (2024)

Exploiting Hierarchical Interactions for Protein Surface Learning
by: Lin, Yiqun, et al.
Published: (2024)

Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models
by: Liu, Lihang, et al.
Published: (2023)

SurfPro: Functional Protein Design Based on Continuous Surface
by: Song, Zhenqiao, et al.
Published: (2024)

Enhancing Protein Predictive Models via Proteins Data Augmentation: A Benchmark and New Directions
by: Sun, Rui, et al.
Published: (2024)