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Huiyong Sun

Zhejiang University
Soochow University (Suzhou)

60

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3216

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Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning.

2022 Briefings Bioinform.
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Comprehensive assessment of deep generative architectures for de novo drug design.

2022 Briefings Bioinform.
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VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations.

2021 Journal of Chemical Information and Modeling
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Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein-Ligand Binding Affinities.

2020 Journal of Chemical Information and Modeling
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Combined Strategies in Structure-based Virtual Screening

2020 Physical Chemistry Chemical Physics
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Structure-based discovery of caspase-1 inhibitor with therapeutic potential for febrile seizures and later enhanced epileptogenic susceptibility.

2020 British Journal of Pharmacology
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Assessing the performance of the MM/PBSA and MM/GBSA methods. 9. Prediction reliability of binding affinities and binding poses for protein-peptide complexes

2019 Physical Chemistry Chemical Physics
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Assessing the performance of the MM/PBSA and MM/GBSA methods. 10. Impacts of enhanced sampling and variable dielectric model on protein–protein Interactions

2019 Physical Chemistry Chemical Physics
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End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design

2019 Chemical Reviews
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Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK)

2019 Journal of Medicinal Chemistry
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Citations (33)