The Application of Molecular Dynamics Simulation and Cryo-EM on the Architecture and Function of Virulence Pathogens
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Biophysics".
Deadline for manuscript submissions: 15 May 2024 | Viewed by 265
Special Issue Editor
Interests: dynamic structure, functional mechanism and artificial regulation of biomacromolecules
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Clarifying the biomolecular interaction, reaction process, and mechanism of action between virulence pathogens (e.g., plasmodium, HIV, influenza and SARS-CoV-2 viruses) and hosts has been the arresting scientific problem that needs to be solved urgently in the fields of biology and medicine in order to prevent and treat infectious diseases. In particular, the mechanisms of biomolecules exercising regulatory functions in related living systems are crucial for resolving these issues. With the development and fusion of cryo-electron microscopy (Cryo-EM) techniques and molecular dynamics (MD) simulations, the related architectures and functions of virulence pathogens serve as a crucial foundation for comprehending the fundamental laws of evolution and molecular mechanisms, especially the physiological structure and intrinsically dynamic behavior of biomacromolecules.
This Special Issue aims to commemorate the introduction and application of MD simulations and Cryo-EM in the investigation on the dynamic nature of virulence pathogens, and uncovering the relations between architecture and function, including but not limited to the interactions involving with ligand, protein, nucleic acid, and lipids. Aside from pure clinical studies, all aspects are welcome, including the clinical or pure model submissions with biomolecular experiments, as well as current efforts in theoretical developments.
Dr. Zhiwei Yang
Guest Editor
Manuscript Submission Information
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Keywords
- dynamic structure and conformation
- physical properties of biomacromolecules
- biomolecular interactions
- molecular recognition
- regulation mechanism
- rational design
- molecular dynamics simulations
