Imagen de Portada

In Silico Pharmacokinetic and Molecular Docking Studies of Natural Plants against Essential Protein KRAS for Treatment of Pancreatic Cancer

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Kappan, Marsha Mariya, George, Joby
Formato:	Preprint
Publicado:	2024
Materias:	Biomolecules Machine Learning
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

Docking-Aware Attention: Dynamic Protein Representations through Molecular Context Integration
por: Sicherman, Amitay, et al.
Publicado: (2025)

RapidDock: Unlocking Proteome-scale Molecular Docking
por: Powalski, Rafał, et al.
Publicado: (2024)

Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface Prediction
por: Yu, Ziyang, et al.
Publicado: (2024)

GNNAS-Dock: Budget Aware Algorithm Selection with Graph Neural Networks for Molecular Docking
por: Yuan, Yiliang, et al.
Publicado: (2024)

DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking
por: Yan, Jiaxian, et al.
Publicado: (2024)

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

Integrating Protein Sequence and Expression Level to Analysis Molecular Characterization of Breast Cancer Subtypes
por: Sholehrasa, Hossein, et al.
Publicado: (2024)

Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
por: Jing, Bowen, et al.
Publicado: (2023)

QuickBind: A Light-Weight And Interpretable Molecular Docking Model
por: Treyde, Wojtek, et al.
Publicado: (2024)

Accelerating Protein Molecular Dynamics Simulation with DeepJump
por: Costa, Allan dos Santos, et al.
Publicado: (2025)

GeoDirDock: Guiding Docking Along Geodesic Paths
por: Miñán, Raúl, et al.
Publicado: (2024)

Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
por: Klarner, Leo, et al.
Publicado: (2024)

Benchmarking Single-Pose Docking, Consensus Rescoring, and Supervised ML on the LIT-PCBA Library: A Critical Evaluation of DiffDock, AutoDock-GPU, GNINA, and DiffDock-NMDN
por: Abo-Dahab, Youssef, et al.
Publicado: (2026)

Drug Repurposing Targeting COVID-19 3CL Protease using Molecular Docking and Machine Learning Regression Approach
por: Aqeel, Imra, et al.
Publicado: (2023)

Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure
por: Dunn, Ian, et al.
Publicado: (2023)

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

ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation
por: Kyro, Gregory W., et al.
Publicado: (2023)

Deep Confident Steps to New Pockets: Strategies for Docking Generalization
por: Corso, Gabriele, et al.
Publicado: (2024)

FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation
por: Gao, Kaiyuan, et al.
Publicado: (2024)

Long-context Protein Language Modeling Using Bidirectional Mamba with Shared Projection Layers
por: Wang, Yingheng, et al.
Publicado: (2024)

Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge
por: Huang, Yufei, et al.
Publicado: (2024)

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

ProteinWeaver: A Divide-and-Assembly Approach for Protein Backbone Design
por: Ma, Yiming, et al.
Publicado: (2024)

Open-Source Protein Language Models for Function Prediction and Protein Design
por: Pandi, Shivasankaran Vanaja, et al.
Publicado: (2024)

Adaptive Protein Tokenization
por: Dilip, Rohit, et al.
Publicado: (2026)

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

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

Steering Protein Language Models
por: Huang, Long-Kai, et al.
Publicado: (2025)

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

Structure-Informed Protein Language Model
por: Zhang, Zuobai, et al.
Publicado: (2024)

Flow Autoencoders are Effective Protein Tokenizers
por: Dilip, Rohit, et al.
Publicado: (2025)

Mechanisms of AI Protein Folding in ESMFold
por: Lu, Kevin, et al.
Publicado: (2026)

Energy Efficient Protein Language Models: Leveraging Small Language Models with LoRA for Controllable Protein Generation
por: Shah, Aayush, et al.
Publicado: (2024)

Peptide Sequencing Via Protein Language Models
por: Pham, Thuong Le Hoai, et al.
Publicado: (2024)

Exploiting Hierarchical Interactions for Protein Surface Learning
por: Lin, Yiqun, et al.
Publicado: (2024)

Structure Language Models for Protein Conformation Generation
por: Lu, Jiarui, et al.
Publicado: (2024)

Deep Manifold Transformation for Protein Representation Learning
por: Hu, Bozhen, et al.
Publicado: (2024)

Diffusion Language Models Are Versatile Protein Learners
por: Wang, Xinyou, et al.
Publicado: (2024)

PUFFIN: Protein Unit Discovery with Functional Supervision
por: Uludoğan, Gökçe, et al.
Publicado: (2026)

Protein Discovery with Discrete Walk-Jump Sampling
por: Frey, Nathan C., et al.
Publicado: (2023)