Cover Image

ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Gao, Bowen, Jia, Yinjun, Mo, Yuanle, Ni, Yuyan, Ma, Weiying, Ma, Zhiming, Lan, Yanyan
Format:	Preprint
Published:	2023
Subjects:	Machine Learning
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Multi-level Interaction Modeling for Protein Mutational Effect Prediction
by: Mo, Yuanle, et al.
Published: (2024)

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

UniMAP: Universal SMILES-Graph Representation Learning
by: Feng, Shikun, et al.
Published: (2023)

AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation
by: Zhu, Wenyu, et al.
Published: (2025)

Manipulating 3D Molecules in a Fixed-Dimensional E(3)-Equivariant Latent Space
by: Chen, Zitao, et al.
Published: (2025)

Fractional Denoising for 3D Molecular Pre-training
by: Feng, Shikun, et al.
Published: (2023)

Revisiting Sampling Strategies for Molecular Generation
by: Ni, Yuyan, et al.
Published: (2025)

Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion
by: Gao, Bowen, et al.
Published: (2024)

Straight-Line Diffusion Model for Efficient 3D Molecular Generation
by: Ni, Yuyan, et al.
Published: (2025)

MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis
by: Feng, Shikun, et al.
Published: (2024)

Revista FSA
Published: (2017)

UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
by: Feng, Shikun, et al.
Published: (2024)

Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
by: Peng, Xingang, et al.
Published: (2022)

Group Ligands Docking to Protein Pockets
by: Guan, Jiaqi, et al.
Published: (2025)

Learning Protein-Ligand Binding in Hyperbolic Space
by: Wang, Jianhui, et al.
Published: (2025)

UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning
by: Feng, Shikun, et al.
Published: (2024)

Coder as Editor: Code-driven Interpretable Molecular Optimization
by: Zhu, Wenyu, et al.
Published: (2025)

S$^2$Drug: Bridging Protein Sequence and 3D Structure in Contrastive Representation Learning for Virtual Screening
by: He, Bowei, et al.
Published: (2025)

Reproduction Research of FSA-Benchmark
by: Ludolf, Joshua, et al.
Published: (2024)

Contextual Molecule Representation Learning from Chemical Reaction Knowledge
by: Tang, Han, et al.
Published: (2024)

Pre-training with Fractional Denoising to Enhance Molecular Property Prediction
by: Ni, Yuyan, et al.
Published: (2024)

Cross-Chirality Generalization by Axial Vectors for Hetero-Chiral Protein-Peptide Interaction Design
by: Yang, Ziyi, et al.
Published: (2026)

InfoCLIP: Bridging Vision-Language Pretraining and Open-Vocabulary Semantic Segmentation via Information-Theoretic Alignment Transfer
by: Yuan, Muyao, et al.
Published: (2025)

MulFSA: Multi-level Financial Sentiment Analysis Framework for Bond Market
by: Liu, Yiwei, et al.
Published: (2025)

Mapping the SHP2 Allosteric Pocket With Target‐Biased Covalent Fragments
by: Nina‐Louisa Efrém, et al.
Published: (2026)

Self-supervised Pretraining for Partial Differential Equations
by: Madhavan, Varun, et al.
Published: (2024)

Self-supervised Pretraining of Cell Segmentation Models
by: Stillwagon, Kaden, et al.
Published: (2026)

Eville & Jones wins five‐year FSA contract
Published: (2025)

From Unfamiliar to Familiar: Detecting Pre-training Data via Gradient Deviations in Large Language Models
by: Zhang, Ruiqi, et al.
Published: (2026)

A Tuning-Free Primal-Dual Splitting Algorithm for Large-Scale Semidefinite Programming
by: Wang, Yinjun, et al.
Published: (2024)

FSA: An Alternative Efficient Implementation of Native Sparse Attention Kernel
by: Yan, Ran, et al.
Published: (2025)

Efficient Self-supervised Vision Pretraining with Local Masked Reconstruction
by: Chen, Jun, et al.
Published: (2022)

Noise-Robust Keyword Spotting through Self-supervised Pretraining
by: Mørk, Jacob, et al.
Published: (2024)

Self-supervised Pretraining for Integrated Prediction and Planning of Automated Vehicles
by: Ren, Yangang, et al.
Published: (2025)

Self-supervised Pretraining for Cardiovascular Magnetic Resonance Cine Segmentation
by: de Mooij, Rob A. J., et al.
Published: (2024)

Self-supervised Pretraining and Finetuning for Monocular Depth and Visual Odometry
by: Chidlovskii, Boris, et al.
Published: (2024)

From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics
by: Gao, Bowen, et al.
Published: (2024)

QSEA: Quantum Self-supervised Learning with Entanglement Augmentation
by: Li, Lingxiao, et al.
Published: (2025)

Set the Clock: Temporal Alignment of Pretrained Language Models
by: Zhao, Bowen, et al.
Published: (2024)

A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
by: Liu, Shengchao, et al.
Published: (2023)