[HTML][HTML] Molecular dynamics computer simulations of multidrug RND efflux pumps
Over-expression of multidrug efflux pumps of the Resistance Nodulation Division (RND)
protein super family counts among the main causes for microbial resistance against …
protein super family counts among the main causes for microbial resistance against …
LAMBADA & InflateGRO2: Efficient membrane alignment and insertion of membrane proteins for molecular dynamics simulations
TH Schmidt, C Kandt - Biophysical Journal, 2012 - cell.com
At the beginning of each membrane protein simulation stands the generation of a suitable
starting structure which includes the two working steps of aligning the protein with the bilayer …
starting structure which includes the two working steps of aligning the protein with the bilayer …
Efflux pump-mediated antibiotics resistance: insights from computational structural biology
N Fischer, M Raunest, TH Schmidt, DC Koch… - Interdisciplinary …, 2014 - Springer
The continuous rise of bacterial resistance against formerly effective pharmaceuticals is a
major challenge for biomedical research. Since the first computational studies published …
major challenge for biomedical research. Since the first computational studies published …
Progress toward computational modeling of actinides in biological systems
CI Maxwell, J Pencer - 2016 - inis.iaea.org
In this paper, methods in computational chemistry are reviewed, which are aimed at the
accurate prediction of the coordination behaviour of radionuclides, specifically to actinides in …
accurate prediction of the coordination behaviour of radionuclides, specifically to actinides in …
[PDF][PDF] Computer Simulations Of Membrane Transport
DRC KANDT - academia.edu
Subject of this habilitation is the study of membrane transport phenomena by molecular
dynam ics computer simulations. Following this introduction chapter, the research work …
dynam ics computer simulations. Following this introduction chapter, the research work …