There are multiple definitions:
ab initio molecular dynamics(English)
- combines classical Newton's laws for atomic motion with quantum mechanical forces calculated "on-the-fly" using methods like Density Functional Theory (DFT), allowing simulations of complex chemical systems (liquids, solids, reactions) without needing pre-fitted parameters, capturing accurate dynamics, polarization, and quantum effects crucial for understanding materials and chemical processes
- DFT, MD
- Biochemistry, Biophysics
- https://doi.org…pnas.0500193102
antibiotic-induced microbiome depletion(English)
- has been used frequently to study the role of the gut microbiome in pathological conditions
- ETT, GSH, NMDA, SCFA, SIRT
- Microbiome, Bacteriology, Gastroenterology, Pathology
- https://doi.org…467-018-05336-9
- https://doi.org…9/ars.2021.0043