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Huiyong Sun

Zhejiang University
Soochow University (Suzhou)

60

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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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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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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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Fullerene derivatives act as inhibitors of leukocyte common antigen based on molecular dynamics simulations

2018 RSC Advances
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Molecular Dynamics Simulations Revealed the Regulation of Ligands to the Interactions between Androgen Receptor and Its Coactivator

2018 Journal of Chemical Information and Modeling
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Structure-Based Drug Design and Identification of H2O-Soluble and Low Toxic Hexacyclic Camptothecin Derivatives with Improved Efficacy in Cancer and Lethal Inflammation Models in Vivo

2018 Journal of Medicinal Chemistry
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Assessing the performance of MM/PBSA and MM/GBSA methods. 8. Predicting binding free energies and poses of protein-RNA complexes

2018 RNA
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Importance of protein flexibility in molecular recognition: a case study on Type-I1/2 inhibitors of ALK

2018 Physical Chemistry Chemical Physics
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