Prediction of Novel CXCR7 Inhibitors Using QSAR Modeling and Validation via Molecular Docking
Fuente:
arXiv
Saved in:
| Main Authors: | Desai, Belaguppa Manjunath Ashwin, Sudha, Merla, Ghosh, Suvarna, Biswas, Pronama |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
In Silico Prediction and Validation of LmGt Inhibitors Using QSAR and Molecular Docking Approaches
by: Biswas, Pronama, et al.
Published: (2025)
by: Biswas, Pronama, et al.
Published: (2025)
Predicting Endocrine Disruptors: A Deep Learning QSAR Model for Estrogen Receptor Activity
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2026)
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2026)
Multi-Ligand Simultaneous Docking Analysis of Moringa Oleifera Phytochemicals Reveals Enhanced BCL-2 Inhibition via Synergistic Action
by: Saha, Asmita, et al.
Published: (2025)
by: Saha, Asmita, et al.
Published: (2025)
Deep Learning-based QSAR Model for Therapeutic Strategies Targeting SmTGR Protein's Immune Modulating Role in Host-Parasite Interaction
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2025)
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2025)
Computational Analysis using Multi-ligand Simultaneous Docking of Withaferin A and Garcinol Reveals Enhanced BCL-2 and AKT-1 Inhibition
by: Biswas, Pronama, et al.
Published: (2025)
by: Biswas, Pronama, et al.
Published: (2025)
Quantum Dots as Functional Nanosystems for Enhanced Biomedical Applications
by: Biswas, Pronama, et al.
Published: (2025)
by: Biswas, Pronama, et al.
Published: (2025)
GraphRT: A graph-based deep learning model for predicting the retention time of peptides
by: Drvodelic, Mark, et al.
Published: (2024)
by: Drvodelic, Mark, et al.
Published: (2024)
TopoBind: Multi-Modal Prediction of Antibody-Antigen Binding Free Energy via Sequence Embeddings and Structural Topology
by: Yu, Ciyuan, et al.
Published: (2025)
by: Yu, Ciyuan, et al.
Published: (2025)
FlowDock: Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction
by: Morehead, Alex, et al.
Published: (2024)
by: Morehead, Alex, et al.
Published: (2024)
HERMES: Holographic Equivariant neuRal network model for Mutational Effect and Stability prediction
by: Visani, Gian Marco, et al.
Published: (2024)
by: Visani, Gian Marco, et al.
Published: (2024)
AgenticPosesRanker: An Agentic AI Framework for Physically Grounded Ranking of Protein-Ligand Docking Poses
by: Khiari, Sofiene, et al.
Published: (2026)
by: Khiari, Sofiene, et al.
Published: (2026)
Prediction of Binding Affinity for ErbB Inhibitors Using Deep Neural Network Model with Morgan Fingerprints as Features
by: Aman, La Ode
Published: (2025)
by: Aman, La Ode
Published: (2025)
On Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction
by: Schapin, Nikolai, et al.
Published: (2024)
by: Schapin, Nikolai, et al.
Published: (2024)
Engineering Supercomputing Platforms for Biomolecular Applications
by: Welch, Robert, et al.
Published: (2025)
by: Welch, Robert, et al.
Published: (2025)
Synthetic Protein-Ligand Complex Generation for Deep Molecular Docking
by: Khiari, Sofiene, et al.
Published: (2025)
by: Khiari, Sofiene, et al.
Published: (2025)
RapidDock: Unlocking Proteome-scale Molecular Docking
by: Powalski, Rafał, et al.
Published: (2024)
by: Powalski, Rafał, et al.
Published: (2024)
Multi-state Protein Design with DynamicMPNN
by: Abrudan, Alex, et al.
Published: (2025)
by: Abrudan, Alex, et al.
Published: (2025)
Evaluating and Scoring Ebolavirus Protein-protein Docking Models Using PIsToN
by: Shirali, Azam, et al.
Published: (2025)
by: Shirali, Azam, et al.
Published: (2025)
Pore-level Quantitative Structure-Activity Relationship (QSAR) for Water Permeation Rate in Aquaporins
by: Galano-Frutos, Juan José, et al.
Published: (2024)
by: Galano-Frutos, Juan José, et al.
Published: (2024)
A Physically-Informed Subgraph Isomorphism Approach to Molecular Docking Using Quantum Annealers
by: Micucci, Francesco, et al.
Published: (2026)
by: Micucci, Francesco, et al.
Published: (2026)
QuickBind: A Light-Weight And Interpretable Molecular Docking Model
by: Treyde, Wojtek, et al.
Published: (2024)
by: Treyde, Wojtek, et al.
Published: (2024)
GNNAS-Dock: Budget Aware Algorithm Selection with Graph Neural Networks for Molecular Docking
by: Yuan, Yiliang, et al.
Published: (2024)
by: Yuan, Yiliang, et al.
Published: (2024)
DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking
by: Yan, Jiaxian, et al.
Published: (2024)
by: Yan, Jiaxian, et al.
Published: (2024)
Sheaf-theoretic representation of the proteolipid code
by: Kervin, Troy A.
Published: (2025)
by: Kervin, Troy A.
Published: (2025)
Review of Natural Language Processing in Pharmacology
by: Trajanov, Dimitar, et al.
Published: (2022)
by: Trajanov, Dimitar, et al.
Published: (2022)
Deep Learning model predicts the c-Kit-11 mutational status of canine cutaneous mast cell tumors by HE stained histological slides
by: Puget, Chloé, et al.
Published: (2024)
by: Puget, Chloé, et al.
Published: (2024)
BConformeR: A Conformer Based on Mutual Sampling for Unified Prediction of Continuous and Discontinuous Antibody Binding Sites
by: You, Zhangyu, et al.
Published: (2025)
by: You, Zhangyu, et al.
Published: (2025)
Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface Prediction
by: Yu, Ziyang, et al.
Published: (2024)
by: Yu, Ziyang, et al.
Published: (2024)
Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
by: Jing, Bowen, et al.
Published: (2023)
by: Jing, Bowen, et al.
Published: (2023)
Integration of Genetic Algorithms and Deep Learning for the Generation and Bioactivity Prediction of Novel Tyrosine Kinase Inhibitors
by: Romero, Ricardo
Published: (2024)
by: Romero, Ricardo
Published: (2024)
ETDock: A Novel Equivariant Transformer for Protein-Ligand Docking
by: Yi, Yiqiang, et al.
Published: (2023)
by: Yi, Yiqiang, et al.
Published: (2023)
FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation
by: Gao, Kaiyuan, et al.
Published: (2024)
by: Gao, Kaiyuan, et al.
Published: (2024)
MTLComb: multi-task learning combining regression and classification tasks for joint feature selection
by: Cao, Han, et al.
Published: (2024)
by: Cao, Han, et al.
Published: (2024)
Contrastive learning of T cell receptor representations
by: Nagano, Yuta, et al.
Published: (2024)
by: Nagano, Yuta, et al.
Published: (2024)
Docking-Aware Attention: Dynamic Protein Representations through Molecular Context Integration
by: Sicherman, Amitay, et al.
Published: (2025)
by: Sicherman, Amitay, et al.
Published: (2025)
LightNobel: Improving Sequence Length Limitation in Protein Structure Prediction Model via Adaptive Activation Quantization
by: Han, Seunghee, et al.
Published: (2025)
by: Han, Seunghee, et al.
Published: (2025)
DeepSilencer: A Novel Deep Learning Model for Predicting siRNA Knockdown Efficiency
by: Liao, Wangdan, et al.
Published: (2025)
by: Liao, Wangdan, et al.
Published: (2025)
GeoDirDock: Guiding Docking Along Geodesic Paths
by: Miñán, Raúl, et al.
Published: (2024)
by: Miñán, Raúl, et al.
Published: (2024)
ApisTox: a new benchmark dataset for the classification of small molecules toxicity on honey bees
by: Adamczyk, Jakub, et al.
Published: (2024)
by: Adamczyk, Jakub, et al.
Published: (2024)
SHREC 2025: Protein surface shape retrieval including electrostatic potential
by: Yacoub, Taher, et al.
Published: (2025)
by: Yacoub, Taher, et al.
Published: (2025)
Similar Items
-
In Silico Prediction and Validation of LmGt Inhibitors Using QSAR and Molecular Docking Approaches
by: Biswas, Pronama, et al.
Published: (2025) -
Predicting Endocrine Disruptors: A Deep Learning QSAR Model for Estrogen Receptor Activity
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2026) -
Multi-Ligand Simultaneous Docking Analysis of Moringa Oleifera Phytochemicals Reveals Enhanced BCL-2 Inhibition via Synergistic Action
by: Saha, Asmita, et al.
Published: (2025) -
Deep Learning-based QSAR Model for Therapeutic Strategies Targeting SmTGR Protein's Immune Modulating Role in Host-Parasite Interaction
by: Desai, Belaguppa Manjunath Ashwin, et al.
Published: (2025) -
Computational Analysis using Multi-ligand Simultaneous Docking of Withaferin A and Garcinol Reveals Enhanced BCL-2 and AKT-1 Inhibition
by: Biswas, Pronama, et al.
Published: (2025)