Xinjun Hou

East China Jiaotong University — China

Computer Science · Physical Sciences

33h-index4.9kcitations84works7.12yr avg
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Research Topics

Computational Drug Discovery Methods(18), Protein Structure and Dynamics(11), Receptor Mechanisms and Signaling(10), Cholinesterase and Neurodegenerative Diseases(10), Phosphodiesterase function and regulation(10)

Publications84 total

Predictive design of crystallographic chiral separation
Nature Communications·2025Open Access
Nioella halotolerans sp. nov., a novel member of the family Roseobacteraceae, isolated from a saline lake
INTERNATIONAL JOURNAL OF SYSTEMATIC AND EVOLUTIONARY MICROBIOLOGY·2025
Design and implementation of a parallel Stein algorithm based on a ternary optical computer
Applied Optics·2025· 1 cited
Parallel RSA encryption algorithm based on a ternary optical computer
Applied Optics·2024· 3 cited
Adaptive region algorithm based on a ternary optical computer
Applied Optics·2024
N-Ethyl-N-Nitrosourea Induced Leukaemia in a Mouse Model: Protective Effect of Icaritin via Inhibition of IL-6/JAK2/STAT3 Pathway Causes Apoptosis
Journal of Inflammation Research·2024· 4 citedOpen Access
Probing the chemical ‘reactome’ with high-throughput experimentation data
Nature Chemistry·2024· 42 citedOpen Access
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation
Journal of Chemical Theory and Computation·2023· 18 cited
Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation
2023· 1 citedOpen Access
Probing the Chemical "Reactome" with High Throughput Experimentation Data
2023· 2 citedOpen Access
Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation
2023· 1 citedOpen Access
Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation
2023Open Access
Probing the Chemical "Reactome" with High Throughput Experimentation Data
2023Open Access
Probing the Chemical "Reactome" with High Throughput Experimentation Data
2022· 5 citedOpen Access
Harnessing Preclinical Data as a Predictive Tool for Human Brain Tissue Targeting
ACS Chemical Neuroscience·2021· 9 cited
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis
Journal of Medicinal Chemistry·2020· 236 citedOpen Access
Correction to: Description of Wenzhouxiangella salilacus sp. nov., a moderate halophilic bacterium isolated from a salt lake in Xinjiang Province, China
Antonie van Leeuwenhoek·2020· 1 citedOpen Access
Optimal designs for pairwise calculation: An application to free energy perturbation in minimizing prediction variability
Journal of Computational Chemistry·2019· 34 citedOpen Access
Optimal Designs of Pairwise Calculation: an Application to Free Energy Perturbation in Minimizing Prediction Variability
2019Open Access
Author Correction: Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs
Scientific Reports·2019Open Access
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Frequent Co-authors

Patrick R. Verhoest(13), Travis T. Wager(9), Anabella Villalobos(8), Christopher J. Helal(7), Kari R. Fonseca(6), Jayvardhan Pandit(6), Qingyi Yang(6), Eric S. Marr(5), Frank S. Menniti(5), Frederick Nelson(5), Christopher J. Schmidt(5), Spiros Liras(5), Elizabeth M. Beck(5), Christopher R. Butler(5), Chuangxing Guo(5), Liming Dong(5), Gabriela Barreiro(5), Alpha A. Lee(4), Rose Ann Ferre(4), Nandini C. Patel(4)