Mayer-homology learning prediction of protein-ligand binding affinities
Fuente:
arXiv
Saved in:
| Main Authors: | Feng, Hongsong, Shen, Li, Liu, Jian, Wei, Guo-Wei |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Persistent local Laplacian prediction of protein-ligand binding affinities
by: Liu, Jian, et al.
Published: (2026)
by: Liu, Jian, et al.
Published: (2026)
Benchmarking AlphaFold3's protein-protein complex accuracy and machine learning prediction reliability for binding free energy changes upon mutation
by: Wee, JunJie, et al.
Published: (2024)
by: Wee, JunJie, et al.
Published: (2024)
CAML: Commutative algebra machine learning -- a case study on protein-ligand binding affinity prediction
by: Feng, Hongsong, et al.
Published: (2025)
by: Feng, Hongsong, et al.
Published: (2025)
New Aspects of Analyzing Amyloid Fibrils
by: Lin, Xiaoxi, et al.
Published: (2024)
by: Lin, Xiaoxi, et al.
Published: (2024)
Molecular Machine Learning Using Euler Characteristic Transforms
by: Toscano-Duran, Victor, et al.
Published: (2025)
by: Toscano-Duran, Victor, et al.
Published: (2025)
Mathematical Insights into Protein Architecture: Persistent Homology and Machine Learning Applied to the Flagellar Motor
by: Lamine, Zakaria, et al.
Published: (2025)
by: Lamine, Zakaria, et al.
Published: (2025)
Evolutionary Khovanov homology
by: Shen, Li, et al.
Published: (2024)
by: Shen, Li, et al.
Published: (2024)
Multiscale differential geometry learning for protein flexibility analysis
by: Feng, Hongsong, et al.
Published: (2024)
by: Feng, Hongsong, et al.
Published: (2024)
Mayer Path Homology
by: Karaguler, Dilan, et al.
Published: (2026)
by: Karaguler, Dilan, et al.
Published: (2026)
State-aware protein-ligand complex prediction using AlphaFold3 with purified sequences
by: Xing, Enming, et al.
Published: (2025)
by: Xing, Enming, et al.
Published: (2025)
Persistent Directed Flag Laplacian (PDFL)-Based Machine Learning for Protein-Ligand Binding Affinity Prediction
by: Zia, Mushal, et al.
Published: (2024)
by: Zia, Mushal, et al.
Published: (2024)
Assessing interaction recovery of predicted protein-ligand poses
by: Errington, David, et al.
Published: (2024)
by: Errington, David, et al.
Published: (2024)
Pi-SAGE: Permutation-invariant surface-aware graph encoder for binding affinity prediction
by: Banerjee, Sharmi, et al.
Published: (2025)
by: Banerjee, Sharmi, et al.
Published: (2025)
ChatGPT for Computational Topology
by: Liu, Jian, et al.
Published: (2023)
by: Liu, Jian, et al.
Published: (2023)
Topological Sequence Analysis of Genomes: Category theory Approaches
by: Liu, Jian, et al.
Published: (2025)
by: Liu, Jian, et al.
Published: (2025)
On fine-tuning Boltz-2 for protein-protein affinity prediction
by: King, James, et al.
Published: (2025)
by: King, James, et al.
Published: (2025)
GenShin:geometry-enhanced structural graph embodies binding pose can better predicting compound-protein interaction affinity
by: Zhu, Pingfei, et al.
Published: (2025)
by: Zhu, Pingfei, et al.
Published: (2025)
Persistent Sheaf Laplacian Analysis of Protein Flexibility
by: Hayes, Nicole, et al.
Published: (2025)
by: Hayes, Nicole, et al.
Published: (2025)
Multiscale Jones Polynomial and Persistent Jones Polynomial for Knot Data Analysis
by: Song, Ruzhi, et al.
Published: (2024)
by: Song, Ruzhi, et al.
Published: (2024)
Persistent interaction topology in data analysis
by: Liu, Jian, et al.
Published: (2024)
by: Liu, Jian, et al.
Published: (2024)
Stable homology of strata of abelian differentials
by: Tosteson, Philip
Published: (2026)
by: Tosteson, Philip
Published: (2026)
Locating topological structures in digital images via local homology
by: Hu, Chuan-Shen
Published: (2023)
by: Hu, Chuan-Shen
Published: (2023)
A Morse Mayer-Vietoris Sequence for Cosheaf Homology on Simplicial Complexes
by: Gould, Ben H.
Published: (2025)
by: Gould, Ben H.
Published: (2025)
Machine learning predictions from unpredictable chaos
by: Jiang, Jian, et al.
Published: (2025)
by: Jiang, Jian, et al.
Published: (2025)
The magnitude homology of a hypergraph
by: Bi, Wanying, et al.
Published: (2023)
by: Bi, Wanying, et al.
Published: (2023)
Computational modeling of RNA-protein binding interactions under an external force
by: Wampler, Danielle, et al.
Published: (2026)
by: Wampler, Danielle, et al.
Published: (2026)
A Khovanov Laplacian and Khovanov Dirac for Knots and Links
by: Jones, Benjamin, et al.
Published: (2024)
by: Jones, Benjamin, et al.
Published: (2024)
Equivariant homology of stacks
by: Khan, Adeel A.
Published: (2025)
by: Khan, Adeel A.
Published: (2025)
Competitive ligand binding kinetics to linear polymers
by: Villaluenga, Juan P. G., et al.
Published: (2024)
by: Villaluenga, Juan P. G., et al.
Published: (2024)
HCAF-DTA: drug-target binding affinity prediction with cross-attention fused hypergraph neural networks
by: Li, Jiannuo, et al.
Published: (2025)
by: Li, Jiannuo, et al.
Published: (2025)
Persistent magnitude homology on finite metric space
by: Bi, Wanying, et al.
Published: (2026)
by: Bi, Wanying, et al.
Published: (2026)
Reflexive homology and involutive Hochschild homology as equivariant Loday constructions
by: Lindenstrauss, Ayelet, et al.
Published: (2024)
by: Lindenstrauss, Ayelet, et al.
Published: (2024)
Fast computation of persistent homology representatives with involuted persistent homology
by: Čufar, Matija, et al.
Published: (2021)
by: Čufar, Matija, et al.
Published: (2021)
The second rational homology of the Torelli group
by: Minahan, Daniel, et al.
Published: (2025)
by: Minahan, Daniel, et al.
Published: (2025)
De novo design of high-affinity protein binders with AlphaProteo
by: Zambaldi, Vinicius, et al.
Published: (2024)
by: Zambaldi, Vinicius, et al.
Published: (2024)
Persistent Topological Laplacians -- a Survey
by: Wei, Xiaoqi, et al.
Published: (2023)
by: Wei, Xiaoqi, et al.
Published: (2023)
FLOWR.root: A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction
by: Cremer, Julian, et al.
Published: (2025)
by: Cremer, Julian, et al.
Published: (2025)
AutoLoop: a novel autoregressive deep learning method for protein loop prediction with high accuracy
by: Wang, Tianyue, et al.
Published: (2025)
by: Wang, Tianyue, et al.
Published: (2025)
The homology of permutation racks
by: Lebed, Victoria, et al.
Published: (2020)
by: Lebed, Victoria, et al.
Published: (2020)
Lie algebras and the (co)homology of configuration spaces
by: Knudsen, Ben
Published: (2024)
by: Knudsen, Ben
Published: (2024)
Similar Items
-
Persistent local Laplacian prediction of protein-ligand binding affinities
by: Liu, Jian, et al.
Published: (2026) -
Benchmarking AlphaFold3's protein-protein complex accuracy and machine learning prediction reliability for binding free energy changes upon mutation
by: Wee, JunJie, et al.
Published: (2024) -
CAML: Commutative algebra machine learning -- a case study on protein-ligand binding affinity prediction
by: Feng, Hongsong, et al.
Published: (2025) -
New Aspects of Analyzing Amyloid Fibrils
by: Lin, Xiaoxi, et al.
Published: (2024) -
Molecular Machine Learning Using Euler Characteristic Transforms
by: Toscano-Duran, Victor, et al.
Published: (2025)