Cover Image

Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Li, Jiahan, Chen, Tong, Luo, Shitong, Cheng, Chaoran, Guan, Jiaqi, Guo, Ruihan, Wang, Sheng, Liu, Ge, Peng, Jian, Ma, Jianzhu
Format:	Preprint
Published:	2024
Subjects:	Biomolecules Artificial Intelligence Machine Learning
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Full-Atom Peptide Design based on Multi-modal Flow Matching
by: Li, Jiahan, et al.
Published: (2024)

Orientation-Aware Graph Neural Networks for Protein Structure Representation Learning
by: Li, Jiahan, et al.
Published: (2022)

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)

Designing Cyclic Peptides via Harmonic SDE with Atom-Bond Modeling
by: Zhou, Xiangxin, et al.
Published: (2025)

Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design
by: Zhou, Xiangxin, et al.
Published: (2024)

DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design
by: Guan, Jiaqi, et al.
Published: (2024)

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

Efficient and Programmable Exploration of Synthesizable Chemical Space
by: Luo, Shitong, et al.
Published: (2025)

Remodeling Peptide-MHC-TCR Triad Binding as Sequence Fusion for Immunogenicity Prediction
by: Ma, Jiahao, et al.
Published: (2025)

Precision Design of Cyclic Peptides using AlphaFold
by: Au, Cheuk Sau
Published: (2025)

Full-Atom Peptide Design with Geometric Latent Diffusion
by: Kong, Xiangzhe, et al.
Published: (2024)

Score-Based Generative Models for Designing Binding Peptide Backbones
by: Boom, John D, et al.
Published: (2023)

Curriculum Learning for Biological Sequence Prediction: The Case of De Novo Peptide Sequencing
by: Zhang, Xiang, et al.
Published: (2025)

Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models
by: Fu, Cong, et al.
Published: (2024)

Target-Specific De Novo Peptide Binder Design with DiffPepBuilder
by: Wang, Fanhao, et al.
Published: (2024)

Ligand Pose Generation via QUBO-Based Hotspot Sampling and Geometric Triplet Matching
by: Yang, Pei-Kun
Published: (2025)

UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design
by: Kong, Xiangzhe, et al.
Published: (2025)

Peptide Vaccine Design by Evolutionary Multi-Objective Optimization
by: Liu, Dan-Xuan, et al.
Published: (2024)

NS-Pep: De novo Peptide Design with Non-Standard Amino Acids
by: Guo, Tao, et al.
Published: (2025)

An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming
by: Xu, Minkai, et al.
Published: (2021)

MuCO: Generative Peptide Cyclization Empowered by Multi-stage Conformation Optimization
by: Wang, Yitian, et al.
Published: (2026)

Discontinuous Epitope Fragments as Sufficient Target Templates for Efficient Binder Design
by: Deng, Zhenfeng, et al.
Published: (2025)

Targeting Melanoma-Specific Tyrosinase: Cyclic Peptide Disrupts Actin Dynamics for Precision Apoptosis Induction
by: Zhao, Ruoyang, et al.
Published: (2025)

MP2D: Constrained Monte Carlo Tree-Guided Diffusion for Multi-Objective Protein Sequence Design
by: Kong, Zitai, et al.
Published: (2026)

ProDCARL: Reinforcement Learning-Aligned Diffusion Models for De Novo Antimicrobial Peptide Design
by: Sheng, Fang, et al.
Published: (2026)

M2oE: Multimodal Collaborative Expert Peptide Model
by: Guo, Zengzhu, et al.
Published: (2024)

Minimal-Action Discrete Schrödinger Bridge Matching for Peptide Sequence Design
by: Goel, Shrey, et al.
Published: (2026)

CreoPep: A Universal Deep Learning Framework for Target-Specific Peptide Design and Optimization
by: Ge, Cheng, et al.
Published: (2025)

TEMPO: Temporal Multi-scale Autoregressive Generation of Protein Conformational Ensembles
by: Xu, Yaoyao, et al.
Published: (2025)

FragmentGPT: A Unified GPT Model for Fragment Growing, Linking, and Merging in Molecular Design
by: Liu, Xuefeng, et al.
Published: (2025)

TumorHoPe2: An updated database for Tumor Homing Peptides
by: Kashyap, Diksha, et al.
Published: (2025)

PepMLM: Target Sequence-Conditioned Generation of Therapeutic Peptide Binders via Span Masked Language Modeling
by: Chen, Tianlai, et al.
Published: (2023)

Multi-Objective-Guided Discrete Flow Matching for Controllable Biological Sequence Design
by: Chen, Tong, et al.
Published: (2025)

Design of Ligand-Binding Proteins with Atomic Flow Matching
by: Liu, Junqi, et al.
Published: (2024)

Directly Optimizing for Synthesizability in Generative Molecular Design using Retrosynthesis Models
by: Guo, Jeff, et al.
Published: (2024)

ODesign: A World Model for Biomolecular Interaction Design
by: Zhang, Odin, et al.
Published: (2025)

A Multi-Layered Framework for Modeling Human Biology: From Basic AI Agents to a Full-Body AI Agent
by: Wang, Aoqi, et al.
Published: (2025)

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

A Collaborative Framework Integrating Large Language Model and Chemical Fragment Space: Mutual Inspiration for Lead Design
by: Tuo, Hao, et al.
Published: (2025)