Computational Molecular Biology of Metabolic Pathways and Signal Transduction Pathways
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Biology".
Deadline for manuscript submissions: 30 August 2024 | Viewed by 168
Special Issue Editor
Interests: computational genomics; computational structural and molecular biology; molecular dynamics simulations; artificial intelligence; AI driven drug design and development; molecular modeling; computer aided drug design; computational proteomics; computational and theoretical chemistry and quantum mechanical and molecular mechanical modeling of bio-materials and larger bio-molecular systems
Special Issue Information
Dear Colleagues,
The regulation of metabolic pathways and the associated signal transduction has received immense therapeutic importance due to their key role in major neural disorders and tumor regulations and onco-metabolism. Furthermore, the metabolic pathways and signal transduction are entirely regulated through interactions of small bio-ligands, signaling molecules, neurotransmitters with receptors, proteins, and membrane bilayer proteins. The complete understanding of these interactions, their binding mode, and their associated biological function are dependent on how good we establish or understand the structure–activity relationship that actually helps in comprehension of these biological functions. Computational structural and molecular biology has emerged as an interdisciplinary discipline in combination with theoretical and computational chemistry and biophysics to explore the biological functions at molecular and atomistic levels. Since I have been working in the quoted areas with my colleague Dr. Khair Bux, thus, it would be a great pleasure to work as the Guest editor for this Special Issue of IJMS. I am very hopeful that my contribution will be quality-oriented and will help IJMS to report quality research in this discipline in the future.
Prof. Dr. Ralf Herwig
Guest Editor
Manuscript Submission Information
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Keywords
- computational genomics
- computational structural and molecular biology
- molecular dynamics simulations
- artificial intelligence
- AI-driven drug design and development
- molecular modeling
- computer-aided drug design
- computational proteomics
- computational and theoretical chemistry
