Computer simulations of realistic ion channel structures have always been challenging and a subject of rigorous study. Simulations based on continuum electrostatics have proven to be computationally cheap and reasonably accurate in predicting a channel's behavior. In this paper we discuss the use of a device simulator, SILVACO, to build a solid-state model for KcsA channel and study its steady-state response. SILVACO is a well-established program, typically used by electrical engineers to simula...

Biological Chemistry  Photochemistry  Taxonomy  Medicinal Chemistry  Ecosystem Science  Developmental Biology  Computational Robotics  Complex network models  Artificial Intelligence  Genetics  Theoretical Chemistry  Analytical Chemistry  Neuroscience  Biological Materials  Nanometer Materials  Green Chemistry  Mathematical Biology  Molecular Biology  Microbiology  Biochemistry  Biodiversity  Bioengineering  Bioinformatics  Biophysics  Biotechnology  Functional Materials  Computational Biology  Synthetic Biology 

Doi:10.1016/j.cmpb.2006.08.007

Infections from parasitic nematodes (or roundworms) contribute to a significant disease burden and productivity losses for humans and livestock. The limited number of anthelmintics (or antinematode drugs) available today to treat these infections are rapidly losing their efficacy as multidrug resistance in parasites becomes a global health challenge. We propose an engineering approach to discover an anthelmintic drug combination that is more potent at killing wild-type Caenorhabditis elegans wor...

Neuroscience  Marine Biology  Toxicology  Taxonomy  Microbiology  Ecosystem Science  Biodiversity  Developmental Biology  Bioengineering  Environmental Sciences  Animal Behavior  Agricultural Science  Biotechnology  Computational Biology  Food Science & Technology  Parasitology  Plant Science  Synthetic Biology 

Doi:10.1126/sciadv.aao1254