Cover Image

LSMTCR: A Scalable Multi-Architecture Model for Epitope-Specific T Cell Receptor de novo Design

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Zhang, Ruihao, Liu, Xiao
Format:	Preprint
Published:	2025
Subjects:	Computational Engineering, Finance, and Science Biomolecules
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Physicochemically Informed Dual-Conditioned Generative Model of T-Cell Receptor Variable Regions for Cellular Therapy
by: Ma, Jiahao, et al.
Published: (2025)

Deep Neural Network-Based Prediction of B-Cell Epitopes for SARS-CoV and SARS-CoV-2: Enhancing Vaccine Design through Machine Learning
by: Shi, Xinyu, et al.
Published: (2024)

De novo Drug Design using Reinforcement Learning with Multiple GPT Agents
by: Hu, Xiuyuan, et al.
Published: (2023)

ProLLaMA: A Protein Large Language Model for Multi-Task Protein Language Processing
by: Lv, Liuzhenghao, et al.
Published: (2024)

Structure-Aware Antibody Design with Affinity-Optimized Inverse Folding
by: Zhao, Xinyan, et al.
Published: (2025)

Zero-Shot 3D Drug Design by Sketching and Generating
by: Long, Siyu, et al.
Published: (2022)

A Hierarchical Adaptive Diffusion Model for Flexible Protein-Protein Docking
by: Yin, Rujie, et al.
Published: (2025)

Re-evaluating sample efficiency in de novo molecule generation
by: Thomas, Morgan, et al.
Published: (2022)

Molecular Dynamics Simulations Reveal PolyQ-Length-Dependent Conformational Changes in Huntingtin Exon-1: Implications for Environmental Co-Solvent Modulation of Aggregation-Prone States
by: Geddes-Nelson, Jai, et al.
Published: (2026)

ESM All-Atom: Multi-scale Protein Language Model for Unified Molecular Modeling
by: Zheng, Kangjie, et al.
Published: (2024)

CMADiff: Cross-Modal Aligned Diffusion for Controllable Protein Generation
by: Zhou, Changjian, et al.
Published: (2025)

Dihedral Angle Adherence: Evaluating Protein Structure Predictions in the Absence of Experimental Data
by: Azeem, Musa, et al.
Published: (2024)

Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey
by: Kuang, Taojie, et al.
Published: (2024)

Gradient GA: Gradient Genetic Algorithm for Drug Molecular Design
by: Zhuang, Chris, et al.
Published: (2025)

Computational Protein Science in the Era of Large Language Models (LLMs)
by: Fan, Wenqi, et al.
Published: (2025)

Leveraging Partial SMILES Validation Scheme for Enhanced Drug Design in Reinforcement Learning Frameworks
by: Wang, Xinyu, et al.
Published: (2025)

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)

Automating MD simulations for Proteins using Large language Models: NAMD-Agent
by: Chandrasekhar, Achuth, et al.
Published: (2025)

Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMs
by: Hu, Xiuyuan, et al.
Published: (2024)

Constrained Shape Analysis with Applications to RNA Structure
by: Mardia, Kanti V., et al.
Published: (2025)

CAME-AB: Cross-Modality Attention with Mixture-of-Experts for Antibody Binding Site Prediction
by: Li, Hongzong, et al.
Published: (2025)

ProtChatGPT: Towards Understanding Proteins with Large Language Models
by: Wang, Chao, et al.
Published: (2024)

Boltzmann-Aligned Inverse Folding Model as a Predictor of Mutational Effects on Protein-Protein Interactions
by: Jiao, Xiaoran, et al.
Published: (2024)

PILOT: Equivariant diffusion for pocket conditioned de novo ligand generation with multi-objective guidance via importance sampling
by: Cremer, Julian, et al.
Published: (2024)

AAVDiff: Experimental Validation of Enhanced Viability and Diversity in Recombinant Adeno-Associated Virus (AAV) Capsids through Diffusion Generation
by: Liu, Lijun, et al.
Published: (2024)

Quantifying Cross-Attention Interaction in Transformers for Interpreting TCR-pMHC Binding
by: Li, Jiarui, et al.
Published: (2025)

PERC: a suite of software tools for the curation of cryoEM data with application to simulation, modelling and machine learning
by: Costa-Gomes, Beatriz, et al.
Published: (2025)

Molecular Docking via Weighted Subgraph Isomorphism on Quantum Annealers
by: Triuzzi, Emanuele, et al.
Published: (2024)

Accelerating Black-Box Molecular Property Optimization by Adaptively Learning Sparse Subspaces
by: Sorourifar, Farshud, et al.
Published: (2024)

PepHarmony: A Multi-View Contrastive Learning Framework for Integrated Sequence and Structure-Based Peptide Encoding
by: Zhang, Ruochi, et al.
Published: (2024)

Task-Specific Sparse Feature Masks for Molecular Toxicity Prediction with Chemical Language Models
by: Lee, Kwun Sy, et al.
Published: (2025)

Protein Large Language Models: A Comprehensive Survey
by: Xiao, Yijia, et al.
Published: (2025)

A Deep Neural Network -- Mechanistic Hybrid Model to Predict Pharmacokinetics in Rat
by: Führer, Florian, et al.
Published: (2023)

CryoFM: A Flow-based Foundation Model for Cryo-EM Densities
by: Zhou, Yi, et al.
Published: (2024)

ProteinGPT: Multimodal LLM for Protein Property Prediction and Structure Understanding
by: Xiao, Yijia, et al.
Published: (2024)

Aligning Large Language Models and Geometric Deep Models for Protein Representation
by: Shu, Dong, et al.
Published: (2024)

Precise Antigen-Antibody Structure Predictions Enhance Antibody Development with HelixFold-Multimer
by: Gao, Jie, et al.
Published: (2024)

ACP-ESM: A novel framework for classification of anticancer peptides using protein-oriented transformer approach
by: Kilimci, Zeynep Hilal, et al.
Published: (2024)

Text-Guided Molecule Generation with Diffusion Language Model
by: Gong, Haisong, et al.
Published: (2024)

RNA-GPT: Multimodal Generative System for RNA Sequence Understanding
by: Xiao, Yijia, et al.
Published: (2024)