Improving Paratope and Epitope Prediction by Multi-Modal Contrastive Learning and Interaction Informativeness Estimation
Fuente:
arXiv
Saved in:
| Main Authors: | Wang, Zhiwei, Wang, Yongkang, Zhang, Wen |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
A Multi-Modal Contrastive Diffusion Model for Therapeutic Peptide Generation
by: Wang, Yongkang, et al.
Published: (2023)
by: Wang, Yongkang, et al.
Published: (2023)
Improving Antibody Design with Force-Guided Sampling in Diffusion Models
by: Kulytė, Paulina, et al.
Published: (2024)
by: Kulytė, Paulina, et al.
Published: (2024)
From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph-Based Deep Learning
by: Min, Yaosen, et al.
Published: (2022)
by: Min, Yaosen, et al.
Published: (2022)
Improving Protein Optimization with Smoothed Fitness Landscapes
by: Kirjner, Andrew, et al.
Published: (2023)
by: Kirjner, Andrew, et al.
Published: (2023)
Curiosity as a Self-Supervised Method to Improve Exploration in De novo Drug Design
by: Chadi, Mohamed-Amine, et al.
Published: (2023)
by: Chadi, Mohamed-Amine, et al.
Published: (2023)
Protein-Mamba: Biological Mamba Models for Protein Function Prediction
by: Xu, Bohao, et al.
Published: (2024)
by: Xu, Bohao, et al.
Published: (2024)
Protriever: End-to-End Differentiable Protein Homology Search for Fitness Prediction
by: Weitzman, Ruben, et al.
Published: (2025)
by: Weitzman, Ruben, et al.
Published: (2025)
TriFit: Trimodal Fusion with Protein Dynamics for Mutation Fitness Prediction
by: Cho, Seungik
Published: (2026)
by: Cho, Seungik
Published: (2026)
DDoS: A Graph Neural Network based Drug Synergy Prediction Algorithm
by: Schwarz, Kyriakos, et al.
Published: (2022)
by: Schwarz, Kyriakos, et al.
Published: (2022)
CL-MFAP: A Contrastive Learning-Based Multimodal Foundation Model for Molecular Property Prediction and Antibiotic Screening
by: Zhou, Gen, et al.
Published: (2025)
by: Zhou, Gen, et al.
Published: (2025)
Interpretable Multimodal Learning for Tumor Protein-Metal Binding: Progress, Challenges, and Perspectives
by: Liu, Xiaokun, et al.
Published: (2025)
by: Liu, Xiaokun, et al.
Published: (2025)
Classifying the Stoichiometry of Virus-like Particles with Interpretable Machine Learning
by: Zhang, Jiayang, et al.
Published: (2025)
by: Zhang, Jiayang, et al.
Published: (2025)
Biologically-Grounded Multi-Encoder Architectures as Developability Oracles for Antibody Design
by: Crouzet, Simon J.
Published: (2026)
by: Crouzet, Simon J.
Published: (2026)
AdaNovo: Adaptive \emph{De Novo} Peptide Sequencing with Conditional Mutual Information
by: Xia, Jun, et al.
Published: (2024)
by: Xia, Jun, et al.
Published: (2024)
PocketVina Enables Scalable and Highly Accurate Physically Valid Docking through Multi-Pocket Conditioning
by: Sarigun, Ahmet, et al.
Published: (2025)
by: Sarigun, Ahmet, et al.
Published: (2025)
NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation
by: Liu, Zhiyuan, et al.
Published: (2025)
by: Liu, Zhiyuan, et al.
Published: (2025)
Accurate RNA 3D structure prediction using a language model-based deep learning approach
by: Shen, Tao, et al.
Published: (2022)
by: Shen, Tao, et al.
Published: (2022)
Robust Optimization in Protein Fitness Landscapes Using Reinforcement Learning in Latent Space
by: Lee, Minji, et al.
Published: (2024)
by: Lee, Minji, et al.
Published: (2024)
gRNAde: Geometric Deep Learning for 3D RNA inverse design
by: Joshi, Chaitanya K., et al.
Published: (2023)
by: Joshi, Chaitanya K., et al.
Published: (2023)
End-to-End Reaction Field Energy Modeling via Deep Learning based Voxel-to-voxel Transform
by: Wu, Yongxian, et al.
Published: (2024)
by: Wu, Yongxian, et al.
Published: (2024)
ImmunoAI: Accelerated Antibody Discovery Using Gradient-Boosted Machine Learning with Thermodynamic-Hydrodynamic Descriptors and 3D Geometric Interface Topology
by: Shivakumar, Shawnak, et al.
Published: (2025)
by: Shivakumar, Shawnak, et al.
Published: (2025)
Geometric Self-Supervised Pretraining on 3D Protein Structures using Subgraphs
by: Chatzianastasis, Michail, et al.
Published: (2024)
by: Chatzianastasis, Michail, et al.
Published: (2024)
Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling
by: Lu, Jiarui, et al.
Published: (2023)
by: Lu, Jiarui, et al.
Published: (2023)
RNAGenScape: Property-Guided, Optimized Generation of mRNA Sequences with Manifold Langevin Dynamics
by: Liao, Danqi, et al.
Published: (2025)
by: Liao, Danqi, et al.
Published: (2025)
Fusing Neural and Physical: Augment Protein Conformation Sampling with Tractable Simulations
by: Lu, Jiarui, et al.
Published: (2024)
by: Lu, Jiarui, et al.
Published: (2024)
ODBO: Bayesian Optimization with Search Space Prescreening for Directed Protein Evolution
by: Cheng, Lixue, et al.
Published: (2022)
by: Cheng, Lixue, et al.
Published: (2022)
Leveraging Machine Learning Models for Peptide-Protein Interaction Prediction
by: Yin, Song, et al.
Published: (2023)
by: Yin, Song, et al.
Published: (2023)
NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models
by: Sakano, Koh, et al.
Published: (2024)
by: Sakano, Koh, et al.
Published: (2024)
Enhancing Generative Molecular Design via Uncertainty-guided Fine-tuning of Variational Autoencoders
by: Abeer, A N M Nafiz, et al.
Published: (2024)
by: Abeer, A N M Nafiz, et al.
Published: (2024)
Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
by: Gu, Siyi, et al.
Published: (2024)
by: Gu, Siyi, et al.
Published: (2024)
Drug Repurposing for Parkinson's Disease Using Random Walk With Restart Algorithm and the Parkinson's Disease Ontology Database
by: Kankariya, Pratham, et al.
Published: (2024)
by: Kankariya, Pratham, et al.
Published: (2024)
Optimizing Convolutional Neural Networks for Identifying Invasive Pollinator Apis Mellifera and Finding a Ligand drug to Protect California's Biodiversity
by: Swaroop, Arnav
Published: (2024)
by: Swaroop, Arnav
Published: (2024)
Endowing Protein Language Models with Structural Knowledge
by: Chen, Dexiong, et al.
Published: (2024)
by: Chen, Dexiong, et al.
Published: (2024)
Differentiable Folding for Nearest Neighbor Model Optimization
by: Krueger, Ryan K., et al.
Published: (2025)
by: Krueger, Ryan K., et al.
Published: (2025)
Protein Fold Classification at Scale: Benchmarking and Pretraining
by: Chen, Dexiong, et al.
Published: (2026)
by: Chen, Dexiong, et al.
Published: (2026)
Conditioning Protein Generation via Hopfield Pattern Multiplicity
by: Varner, Jeffrey D.
Published: (2026)
by: Varner, Jeffrey D.
Published: (2026)
Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks
by: Ünlü, Atabey, et al.
Published: (2023)
by: Ünlü, Atabey, et al.
Published: (2023)
Exploring zero-shot structure-based protein fitness prediction
by: Sharma, Arnav, et al.
Published: (2025)
by: Sharma, Arnav, et al.
Published: (2025)
IgCraft: A versatile sequence generation framework for antibody discovery and engineering
by: Greenig, Matthew, et al.
Published: (2025)
by: Greenig, Matthew, et al.
Published: (2025)
Is novelty predictable?
by: Fannjiang, Clara, et al.
Published: (2023)
by: Fannjiang, Clara, et al.
Published: (2023)
Similar Items
-
A Multi-Modal Contrastive Diffusion Model for Therapeutic Peptide Generation
by: Wang, Yongkang, et al.
Published: (2023) -
Improving Antibody Design with Force-Guided Sampling in Diffusion Models
by: Kulytė, Paulina, et al.
Published: (2024) -
From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph-Based Deep Learning
by: Min, Yaosen, et al.
Published: (2022) -
Improving Protein Optimization with Smoothed Fitness Landscapes
by: Kirjner, Andrew, et al.
Published: (2023) -
Curiosity as a Self-Supervised Method to Improve Exploration in De novo Drug Design
by: Chadi, Mohamed-Amine, et al.
Published: (2023)