Saved in:
| Main Authors: | Ranganath, Aditya, Kim, Hyojin |
|---|---|
| Format: | Recurso digital |
| Language: | |
| Published: |
Zenodo
2025
|
| Online Access: | https://doi.org/10.5281/zenodo.17574818 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Mayer-homology learning prediction of protein-ligand binding affinities
by: Feng, Hongsong, et al.
Published: (2024)
by: Feng, Hongsong, et al.
Published: (2024)
Improved prediction of ligand-protein binding affinities by meta-modeling
by: Lee, Ho-Joon, et al.
Published: (2023)
by: Lee, Ho-Joon, et al.
Published: (2023)
Persistent local Laplacian prediction of protein-ligand binding affinities
by: Liu, Jian, et al.
Published: (2026)
by: Liu, Jian, et al.
Published: (2026)
ERL‐ProLiGraph: Enhanced representation learning on protein‐ligand graph structured data for binding affinity prediction
by: Gloria Geine Paendong, et al.
Published: (2024)
by: Gloria Geine Paendong, et al.
Published: (2024)
Accurate and generalizable protein-ligand binding affinity prediction with geometric deep learning
by: Li, Krinos, et al.
Published: (2025)
by: Li, Krinos, et al.
Published: (2025)
Systematic evaluation of computational tools to predict the effects of mutations on protein-ligand binding affinity in the absence of experimental structures
by: Pan, Qisheng
Published: (2025)
by: Pan, Qisheng
Published: (2025)
Systematic evaluation of computational tools to predict the effects of mutations on protein-ligand binding affinity in the absence of experimental structures
by: Pan, Qisheng
Published: (2025)
by: Pan, Qisheng
Published: (2025)
Navigating LLM Valley: From AdamW to Memory-Efficient and Matrix-Based Optimizers
by: Ranganath, Aditya
Published: (2026)
by: Ranganath, Aditya
Published: (2026)
SG‐ML‐PLAP: A structure‐guided machine learning–based scoring function for protein–ligand binding affinity prediction
by: Sapna Pal, et al.
Published: (2024)
by: Sapna Pal, 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)
Enhancing protein‐ligand binding affinity prediction through sequential fusion of graph and convolutional neural networks
by: Yimin Yang, et al.
Published: (2024)
by: Yimin Yang, et al.
Published: (2024)
Toward generalizable structure‐based deep learning models for protein–ligand interaction prediction: Challenges and strategies
by: Seokhyun Moon, et al.
Published: (2024)
by: Seokhyun Moon, et al.
Published: (2024)
A hybrid quantum-classical fusion neural network to improve protein-ligand binding affinity predictions for drug discovery
by: Domingo, L., et al.
Published: (2023)
by: Domingo, L., et al.
Published: (2023)
A Unified Measure-Theoretic View of Diffusion, Score-Based, and Flow Matching Generative Models
by: Ranganath, Aditya, et al.
Published: (2026)
by: Ranganath, Aditya, et al.
Published: (2026)
Assessing interaction recovery of predicted protein-ligand poses
by: Errington, David, et al.
Published: (2024)
by: Errington, David, et al.
Published: (2024)
Modern machine‐learning for binding affinity estimation of protein–ligand complexes: Progress, opportunities, and challenges
by: Tobias Harren, et al.
Published: (2024)
by: Tobias Harren, et al.
Published: (2024)
On fine-tuning Boltz-2 for protein-protein affinity prediction
by: King, James, et al.
Published: (2025)
by: King, James, et al.
Published: (2025)
Revealing protein structures: crystallization of protein‐ligand complexes – co‐crystallization and crystal soaking
by: Barbora Kaščáková, et al.
Published: (2024)
by: Barbora Kaščáková, et al.
Published: (2024)
Symmetric Rank-One Quasi-Newton Methods for Deep Learning Using Cubic Regularization
by: Ranganath, Aditya, et al.
Published: (2025)
by: Ranganath, Aditya, et al.
Published: (2025)
ProtAlign: Contrastive learning paradigm for Sequence and structure alignment
by: Ranganath, Aditya, et al.
Published: (2026)
by: Ranganath, Aditya, et al.
Published: (2026)
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)
Simultaneous normalization of period map and affine structures on moduli spaces
by: Liu, Kefeng, et al.
Published: (2019)
by: Liu, Kefeng, et al.
Published: (2019)
Optimization of affinity chromatography using HABA ligand for avidin purification
by: Pamela A Kikot, et al.
Published: (2025)
by: Pamela A Kikot, et al.
Published: (2025)
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)
Improving protein-ligand binding prediction for shallow binding sites by incorporating interfacial water molecules
by: Bayarsaikhan, Bayartsetseg, et al.
Published: (2026)
by: Bayarsaikhan, Bayartsetseg, et al.
Published: (2026)
The pivotal role of mass spectrometry in transition metal‐based photocatalyst research for solar‐driven energy conversion and water purification advancements
by: Haheun Yoo, et al.
Published: (2025)
by: Haheun Yoo, et al.
Published: (2025)
Women and the Sikh Diaspora in California
by: Ranganath, Nicole
Published: (2025)
by: Ranganath, Nicole
Published: (2025)
PIPE-RDF: An LLM-Assisted Pipeline for Enterprise RDF Benchmarking
by: Ranganath, Suraj
Published: (2026)
by: Ranganath, Suraj
Published: (2026)
Distributed Stochastic Optimization of a Neural Representation Network for Time-Space Tomography Reconstruction
by: Mohan, K. Aditya, et al.
Published: (2024)
by: Mohan, K. Aditya, et al.
Published: (2024)
Assessing the potential of deep learning for protein-ligand docking
by: Morehead, Alex, et al.
Published: (2024)
by: Morehead, Alex, et al.
Published: (2024)
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)
Artificial intelligence in fusion protein three‐dimensional structure prediction: Review and perspective
by: Himansu Kumar, et al.
Published: (2024)
by: Himansu Kumar, et al.
Published: (2024)
Unlocking GPCR–ligand interactions: Measuring binding affinities with thermal shift assay
by: Dmitrii Dashevskii, et al.
Published: (2025)
by: Dmitrii Dashevskii, et al.
Published: (2025)
Opportunities and challenges in protein structure prediction
by: Wenkai Wang, et al.
Published: (2026)
by: Wenkai Wang, et al.
Published: (2026)
Binding free energy analysis of galectin‐3 natural ligands and synthetic inhibitors
by: Luke Newman, et al.
Published: (2025)
by: Luke Newman, et al.
Published: (2025)
The role of G protein‐coupled receptors and their ligands in animal domestication
by: Gunnar Kleinau, et al.
Published: (2024)
by: Gunnar Kleinau, et al.
Published: (2024)
Generation of pharmacophores and classification of drugs using protein-ligand complexes
by: Eliana P. Velásquez
Published: (2012)
by: Eliana P. Velásquez
Published: (2012)
MAGPIE: An interactive tool for visualizing and analyzing protein–ligand interactions
by: Daniel C. Pineda Rodriguez, et al.
Published: (2024)
by: Daniel C. Pineda Rodriguez, et al.
Published: (2024)
Thrips species composition on grapes in Karnataka and Maharashtra
by: H. R. Ranganath
Published: (2008)
by: H. R. Ranganath
Published: (2008)
Deep learning methods for protein structure prediction
by: Yiming Qin, et al.
Published: (2024)
by: Yiming Qin, et al.
Published: (2024)
Similar Items
-
Mayer-homology learning prediction of protein-ligand binding affinities
by: Feng, Hongsong, et al.
Published: (2024) -
Improved prediction of ligand-protein binding affinities by meta-modeling
by: Lee, Ho-Joon, et al.
Published: (2023) -
Persistent local Laplacian prediction of protein-ligand binding affinities
by: Liu, Jian, et al.
Published: (2026) -
ERL‐ProLiGraph: Enhanced representation learning on protein‐ligand graph structured data for binding affinity prediction
by: Gloria Geine Paendong, et al.
Published: (2024) -
Accurate and generalizable protein-ligand binding affinity prediction with geometric deep learning
by: Li, Krinos, et al.
Published: (2025)