Zheyuan Shen

Zhejiang Pharmaceutical College — China

Computer Science · Physical Sciences

6h-index205citations27works4.02yr avg
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Research Topics

Computational Drug Discovery Methods(15), Protein Degradation and Inhibitors(7), Protein Structure and Dynamics(4), Monoclonal and Polyclonal Antibodies Research(4), Ubiquitin and proteasome pathways(4)

Publications27 total

Discovery and optimization of Menin-MLL inhibitors targeting acute myeloid leukemia
European Journal of Medicinal Chemistry·2026
Discovery of Novel ERK5 Inhibitors for Pancreatic Cancer via a Virtual Screening Approach
ACS Medicinal Chemistry Letters·2026Open Access
Adaptive data pruning for efficient federated learning on heterogeneous clients
Cluster Computing·2025
Discovery of a New and Selective HPK1 PROTAC for Enhancing Tumor Immunotherapy through Eliminating GLK Degradation
Journal of Medicinal Chemistry·2025· 6 cited
Development of novel epoxyketone macrocyclic peptidyl proteasome inhibitors through OPA-mediated one-step cyclization of unprotected peptides
Bioorganic Chemistry·2025· 1 cited
PPI-CoAttNet: A Web Server for Protein–Protein Interaction Tasks Using a Coattention Model
Journal of Chemical Information and Modeling·2025
Development of Novel Epoxyketone Macrocyclic Peptidyl Proteasome Inhibitors Through Opa-Mediated One-Step Cyclization of Unprotected Peptides
SSRN Electronic Journal·2025Open Access
EvaluationMaster: A GUI Tool for Structure-Based Virtual Screening Evaluation Analysis and Decision-Making Support
Journal of Chemical Information and Modeling·2024· 6 cited
KnoMol: A Knowledge-Enhanced Graph Transformer for Molecular Property Prediction
Journal of Chemical Information and Modeling·2024· 5 cited
Identification of Potent CDK9 Inhibitors with Novel Skeletons via Virtual Screening, Biological Evaluation, and Molecular Dynamics Simulation
ACS Medicinal Chemistry Letters·2024· 5 citedOpen Access
Discovery and characterization of novel FGFR1 inhibitors in triple-negative breast cancer via hybrid virtual screening and molecular dynamics simulations
Bioorganic Chemistry·2024· 6 cited
Discovery of potent CSK inhibitors through integrated virtual screening and molecular dynamic simulation
Archiv der Pharmazie·2024· 2 citedOpen Access
Rational Identification of Novel Antibody‐Drug Conjugate with High Bystander Killing Effect against Heterogeneous Tumors
Advanced Science·2024· 30 citedOpen Access
Identification and assessment of new PIM2 inhibitors for treating hematologic cancers: A combined approach of energy‐based virtual screening and machine learning evaluation
Archiv der Pharmazie·2024· 2 citedOpen Access
Combining AI and traditional screening for discovery of a potent ROCK2 inhibitor against lymphoma
Journal of Molecular Structure·2024· 1 cited
Discovery and Characterization of Novel Fgfr1 Inhibitors in Triple-Negative Breast Cancer Via Hybrid Virtual Screening and Molecular Dynamics Simulations
SSRN Electronic Journal·2024Open Access
Discovery of potential WEE1 inhibitors via hybrid virtual screening
Frontiers in Pharmacology·2023· 4 citedOpen Access
LCK-SafeScreen-Model: An Advanced Ensemble Machine Learning Approach for Estimating the Binding Affinity between Compounds and LCK Target
Molecules·2023· 4 citedOpen Access
ADCdb: the database of antibody–drug conjugates
Nucleic Acids Research·2023· 61 citedOpen Access
Identification of Potential JNK3 Inhibitors: A Combined Approach Using Molecular Docking and Deep Learning-Based Virtual Screening
Pharmaceuticals·2023· 12 citedOpen Access
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Frequent Co-authors

Xiaowu Dong(19), Jinxin Che(14), Liteng Shen(11), Xinglong Chi(8), Lei Xu(6), Roufen Chen(6), Donghang Xu(6), Sikang Chen(4), Qingyu Bian(4), Yu Guo(4), Weihao Zhuang(4), Qingnan Zhang(4), Lu Yan(4), Yang Lu(3), Binbin Zhou(3), Jingyi Zhao(3), Jian Gao(3), Yuchen Wang(3), Xiaoli Zheng(3), Yi Song(2)