Copertina

PyMOLfold: Interactive Protein and Ligand Structure Prediction in PyMOL

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Ford, Colby T., Ullah, Samee, Antunes, Dinler Amaral, Ferreira, Tarsis Gesteira
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Biomolecules
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

DeepRLI: A Multi-objective Framework for Universal Protein--Ligand Interaction Prediction
di: Lin, Haoyu, et al.
Pubblicazione: (2024)

Hermes: Large DEL Datasets Train Generalizable Protein-Ligand Binding Prediction Models
di: Kleinsasser, Maxwell, et al.
Pubblicazione: (2026)

MOL-Mamba: Enhancing Molecular Representation with Structural & Electronic Insights
di: Hu, Jingjing, et al.
Pubblicazione: (2024)

ProtScan: Modeling and Prediction of RNA-Protein Interactions
di: Corrado, Gianluca, et al.
Pubblicazione: (2024)

Persistent Directed Flag Laplacian (PDFL)-Based Machine Learning for Protein-Ligand Binding Affinity Prediction
di: Zia, Mushal, et al.
Pubblicazione: (2024)

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

Into the Unknown: From Structure to Disorder in Protein Function Prediction
di: Kolarić, Đesika, et al.
Pubblicazione: (2025)

Synthetic Protein-Ligand Complex Generation for Deep Molecular Docking
di: Khiari, Sofiene, et al.
Pubblicazione: (2025)

Ligand-Conditioned Discrete Diffusion for Protein Sequence-Structure Co-Design
di: Wei, Chen, et al.
Pubblicazione: (2026)

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

SCOP: A Sequence-Structure Contrast-Aware Framework for Protein Function Prediction
di: Ma, Runze, et al.
Pubblicazione: (2024)

DecoyDB: A Dataset for Graph Contrastive Learning in Protein-Ligand Binding Affinity Prediction
di: Zhang, Yupu, et al.
Pubblicazione: (2025)

Exploring Data-Driven Chemical SMILES Tokenization Approaches to Identify Key Protein-Ligand Binding Moieties
di: Temizer, Asu Büşra, et al.
Pubblicazione: (2022)

Protein FID: Improved Evaluation of Protein Structure Generative Models
di: Faltings, Felix, et al.
Pubblicazione: (2025)

Atom-level Protein Representation Learning Improves Protein Structure Prediction
di: Kim, Taewon, et al.
Pubblicazione: (2026)

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

Towards Precision Protein-Ligand Affinity Prediction Benchmark: A Complete and Modification-Aware DAVIS Dataset
di: Wu, Ming-Hsiu, et al.
Pubblicazione: (2025)

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

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

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

Leveraging Machine Learning Models for Peptide-Protein Interaction Prediction
di: Yin, Song, et al.
Pubblicazione: (2023)

One-step Structure Prediction and Screening for Protein-Ligand Complexes using Multi-Task Geometric Deep Learning
di: He, Kelei, et al.
Pubblicazione: (2024)

DL4Proteins Jupyter Notebooks Teach how to use Artificial Intelligence for Biomolecular Structure Prediction and Design
di: Chungyoun, Michael, et al.
Pubblicazione: (2025)

Single-Sequence-Based Protein Secondary Structure Prediction using One-Hot and Chemical Encodings of Amino Acids
di: Trinh, Hoa, et al.
Pubblicazione: (2024)

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

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

PLD-Tree: Persistent Laplacian Decision Tree for Protein-Protein Binding Free Energy Prediction
di: Xu, Xingjian, et al.
Pubblicazione: (2024)

Hybrid Quantum Neural Networks for Efficient Protein-Ligand Binding Affinity Prediction
di: Jeong, Seon-Geun, et al.
Pubblicazione: (2025)

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

Atomic Density Distributions in Proteins: Structural and Functional Implications
di: Touliopoulos, Sotirios, et al.
Pubblicazione: (2025)

A New Route for the Determination of Protein Structure and Function
di: Mejias, S. H., et al.
Pubblicazione: (2024)

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

Quantifying the Role of OpenFold Components in Protein Structure Prediction
di: Hayes, Tyler L., et al.
Pubblicazione: (2025)

A Comprehensive System for Secondary Structure Analysis of Protein Models
di: Kannan, Vedh
Pubblicazione: (2024)

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

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

Decoding Polyphenol-Protein Interactions with Deep Learning: From Molecular Mechanisms to Food Applications
di: Liu, Qiang, et al.
Pubblicazione: (2025)

ProtComposer: Compositional Protein Structure Generation with 3D Ellipsoids
di: Stark, Hannes, et al.
Pubblicazione: (2025)

An Energy-Adaptive Elastic Equivariant Transformer Framework for Protein Structure Representation
di: Zhang, Zhongyue, et al.
Pubblicazione: (2025)

FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling
di: Zhang, Zaixi, et al.
Pubblicazione: (2024)