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Dorian Bagni

Showing results (1-10 of 8) with videos related to

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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 PredictionJie 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 PredictionJie Li, Xingyi Guan, Oufan Zhang, et al.
Nature Computational Science|May 11, 2026
SmileyLlama: modifying large language models for directed chemical space explorationJoseph M Cavanagh, Kunyang Sun, Andrew Gritsevskiy, et al.
Arxiv|May 5, 2025
SynLlama: Generating Synthesizable Molecules and Their Analogs with Large Language ModelsKunyang Sun, Dorian Bagni, Joseph M Cavanagh, et al.
Digital Discovery|April 7, 2025
A workflow to create a high-quality protein-ligand binding dataset for training, validation, and prediction tasksYingze Wang, Kunyang Sun, Jie Li, et al.
Arxiv|March 17, 2025
A Workflow to Create a High-Quality Protein-Ligand Binding Dataset for Training, Validation, and Prediction TasksYingze Wang, Kunyang Sun, Jie Li, et al.
ACS Central Science|December 4, 2025
SynLlama: Generating Synthesizable Molecules and Their Analogs with Large Language ModelsKunyang Sun, Dorian Bagni, Joseph M Cavanagh, et al.
Journal of Chemical Information and Modeling|June 6, 2024
Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug DesignJie Li, Oufan Zhang, Kunyang Sun, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
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 PredictionJie 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 PredictionJie Li, Xingyi Guan, Oufan Zhang, et al.
Nature Computational Science|May 11, 2026
SmileyLlama: modifying large language models for directed chemical space explorationJoseph M Cavanagh, Kunyang Sun, Andrew Gritsevskiy, et al.
Arxiv|May 5, 2025
SynLlama: Generating Synthesizable Molecules and Their Analogs with Large Language ModelsKunyang Sun, Dorian Bagni, Joseph M Cavanagh, et al.
Digital Discovery|April 7, 2025
A workflow to create a high-quality protein-ligand binding dataset for training, validation, and prediction tasksYingze Wang, Kunyang Sun, Jie Li, et al.
Arxiv|March 17, 2025
A Workflow to Create a High-Quality Protein-Ligand Binding Dataset for Training, Validation, and Prediction TasksYingze Wang, Kunyang Sun, Jie Li, et al.
ACS Central Science|December 4, 2025
SynLlama: Generating Synthesizable Molecules and Their Analogs with Large Language ModelsKunyang Sun, Dorian Bagni, Joseph M Cavanagh, et al.
Journal of Chemical Information and Modeling|June 6, 2024
Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug DesignJie Li, Oufan Zhang, Kunyang Sun, et al.
Pageof 1