Current tools and methods in molecular dynamics (MD) simulations for drug design

M Hernández-Rodríguez… - Current medicinal …, 2016 - benthamdirect.com
Molecular Dynamics (MD) simulations is a computational method that employs Newton's
laws to evaluate the motions of water, ions, small molecules, and macromolecules or more …

Microbial dynamics in health and disease: from strain-level adaptations to microbe-microbe interactions in the gut microbiome

R Govindan Unni - 2023 - pure.mpg.de
This thesis deals with the evolution of bacteria in the gut microbiome, and the potential of
therapeutic exploitation. The gut microbiome changes in a predictable manner during …

Microbial dynamics in health and disease: from strain-level adaptations to microbe-microbe interactions in the gut microbiome

R Govindan Unni - 2023 - macau.uni-kiel.de
The microbial communities that inhabit the mammalian gut form a crucial component that
affects health and disease. Established knowledge points to predictable changes in the …