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中文摘要：
生命行为的时-空多尺度特征给现代多尺度科学研究提出了巨大挑战。目前尚缺乏可以精确反映细胞微观-宏观行为交互耦合的多尺度理论和模型。本项目借助统计力学、统计动力学理论，开发一个统一框架下的适用于细胞内大分子、亚细胞、细胞到组织水平的时-空多尺度生命行为的模拟理论和算法，进而从理论上和实践上实现研究细胞通讯、细胞定向运动以及组织模型形成机制。同时，我们将该理论应用于Wnt-β catenin-cadherin通路、integrin-Rac-JNK网络，以及IgCAM通路所介导的细胞黏附、团聚、以及肿瘤细胞转移和入侵机制等典型多尺度行为的研究，并开展细胞生物学实验验证。本项目的成功开展将建立一套研究细胞多尺度生理过程的新理论和新工具，从而为解决复杂生命体系的多尺度问题提供基础性支持。
结论摘要：
英文主题词Multi-scale simulation；Systems biology；Molecular network；；
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期刊论文
An in silico exploration of the interaction mechanism of pyrazolo[1,5-a]pyrimidine type CDK2 inhibit
Exploring the structure determinants of pyrazinone derivatives as PDE5 3HC8 inhibitors: An in silico
The 3D-QSAR and pharmacophore studies of pyrimidine derivatives as HCV replication (replicase) inhib
Exploring details about structure requirements based on novel CGRP receptor antagonists urethanamide
Investigation into the mechanism of Eucommia ulmoides Oliv. based on a systems pharmacology approach
Profiling the Interaction Mechanism of Quinoline/Quinazoline Derivatives as MCHR1 Antagonists: An in
Inhibition mechanism exploration of quinoline derivatives as PDE10A inhibitors by in silico analysis
A systematic identification of multiple toxin-target interactions based on chemical, genomic and tox
Systems Pharmacology Dissection of the Anti-Inflammatory Mechanism for the Medicinal Herb Folium Eri
A systems pharmacology approach to investigate the mechanisms of action of Semen Strychni and Tripte
In silico research to assist the investigation of carboxamide derivatives as potent TRPV1 antagonist
Insight into the Structural Requirements of Benzimidazole Derivatives as Interleukin-2 Inducible T-c
Structure determinants of indolin-2-on-3-spirothiazolidinones as MptpB inhibitors: An in silico stud
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