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Biorxiv : the Preprint Server for Biology
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April 17, 2026
KinConfBench: A Curated Benchmark for Cofolding Models on Kinase Conformational States
Kunyang Sun, Teresa Head-Gordon
Journal of Chemical Information and Modeling
|
October 28, 2025
Polaris Challenge: Data-Driven Priors to Improve Docking for Pose Prediction
Kunyang Sun, Yingze Wang, Justin Purnomo, et al.
Journal of Chemical Information and Modeling
|
February 6, 2026
More Accurate Binding Affinity Prediction Using Protein Homology and Ligand-Based Transfer Learning
Justin Purnomo, Caitlin Kim, Kunyang Sun, et al.
Proceedings of Machine Learning Research
|
October 4, 2022
LIMO: Latent Inceptionism for Targeted Molecule Generation
Peter Eckmann, Kunyang Sun, Bo Zhao, et al.
Biorxiv : the Preprint Server for Biology
|
April 17, 2026
DrugPlayGround: Benchmarking Large Language Models and Embeddings for Drug Discovery
Tianyu Liu, Sihan Jiang, Fan Zhang, et al.
Neural Networks : the Official Journal of the International Neural Network Society
|
June 2, 2026
A unified multi-stream diffusion framework for robust video camouflaged object detection
Yuyao Ke, Rui Yao, Kunyang Sun, et al.
The Journal of Physical Chemistry. B
|
January 5, 2026
Leak Proof PDBBind: A Reorganized Data Set of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction
Jie Li, Xingyi Guan, Oufan Zhang, et al.
Arxiv
|
August 30, 2023
Leak Proof PDBBind: A Reorganized Dataset of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction
Jie Li, Xingyi Guan, Oufan Zhang, et al.
Biorxiv : the Preprint Server for Biology
|
April 27, 2026
LinkLlama: Enabling Large Language Model for Chemically Reasonable Linker Design
Kunyang Sun, Yingze Wang, Justin Purnomo, et al.
Nature Computational Science
|
May 11, 2026
SmileyLlama: modifying large language models for directed chemical space exploration
Joseph M Cavanagh, Kunyang Sun, Andrew Gritsevskiy, et al.
Page
of 3
Search research articles
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Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
Biorxiv : the Preprint Server for Biology
|
April 17, 2026
KinConfBench: A Curated Benchmark for Cofolding Models on Kinase Conformational States
Kunyang Sun, Teresa Head-Gordon
Journal of Chemical Information and Modeling
|
October 28, 2025
Polaris Challenge: Data-Driven Priors to Improve Docking for Pose Prediction
Kunyang Sun, Yingze Wang, Justin Purnomo, et al.
Journal of Chemical Information and Modeling
|
February 6, 2026
More Accurate Binding Affinity Prediction Using Protein Homology and Ligand-Based Transfer Learning
Justin Purnomo, Caitlin Kim, Kunyang Sun, et al.
Proceedings of Machine Learning Research
|
October 4, 2022
LIMO: Latent Inceptionism for Targeted Molecule Generation
Peter Eckmann, Kunyang Sun, Bo Zhao, et al.
Biorxiv : the Preprint Server for Biology
|
April 17, 2026
DrugPlayGround: Benchmarking Large Language Models and Embeddings for Drug Discovery
Tianyu Liu, Sihan Jiang, Fan Zhang, et al.
Neural Networks : the Official Journal of the International Neural Network Society
|
June 2, 2026
A unified multi-stream diffusion framework for robust video camouflaged object detection
Yuyao Ke, Rui Yao, Kunyang Sun, et al.
The Journal of Physical Chemistry. B
|
January 5, 2026
Leak Proof PDBBind: A Reorganized Data Set of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction
Jie Li, Xingyi Guan, Oufan Zhang, et al.
Arxiv
|
August 30, 2023
Leak Proof PDBBind: A Reorganized Dataset of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction
Jie Li, Xingyi Guan, Oufan Zhang, et al.
Biorxiv : the Preprint Server for Biology
|
April 27, 2026
LinkLlama: Enabling Large Language Model for Chemically Reasonable Linker Design
Kunyang Sun, Yingze Wang, Justin Purnomo, et al.
Nature Computational Science
|
May 11, 2026
SmileyLlama: modifying large language models for directed chemical space exploration
Joseph M Cavanagh, Kunyang Sun, Andrew Gritsevskiy, et al.
Page
of 3