Advanced Materials & Manufacturing – Page 647

Towards a Reliable Model of Ion Channels: Three-dimensional simulation of ionic solutions

Saraniti M., Wigger S., Schuss Z., Eisenberg R.S., Illinois Institute of Technology, US

Ion channels play a crucial role in the physiology of complex biological systems because of their influence on the electrical equilibrium between the cells and their environment. From an engineering viewpoint, ion channels will be [...]

Biological Conduction Processes

Docking and Drug Discovery

Irwin J., Lorber D.M., McGovern S.L., Wei B., Shoichet B.K., Northwestern University, US

Molecular docking screens large databases of small molecules by orienting and scoring them in the binding site of a protein. Top-ranked molecules may be tested for binding affinity in vitro, and may become lead compounds, [...]

Biotechnology and Drug Discovery: Two Years Into the Third Millennium

Bussiere D., Krause K., Chiron Corporation, US

The field of drug discovery is extremely complex and ever changing, with new methodologies and technologies being introduced constantly. The following paper provides an introduction to the field as well as the cutting-edge work being [...]

Computer Aided Drug Design

Complex Fluid Dynamics in BioMEMS Devices: Modeling of Microfabricated Microneedles

Liepmann D., University of California-Berkeley, US

MEMS technologies promises to revolutionize health care by providing precise control of biological fluids for both diagnoses and treatments. For example, microneedles can be used for sample collection for biological analysis, delivery of cell or [...]

Modeling and Simulation for MEMS Design, Industrial Requirements

Neul R., Robert Bosch GmbH, DE

The development process of today’s products is dominated by demands like ‘product performance’, ‘quality, ‘time to market’, ‘development cost’, ‘development risk’ etc., while the products’ complexity is increasing. Design methods for MEMS devices are discussed, [...]

What to do with Statistical Mechanics when the Figure of Merit Cannot be Calculated: Library Design for High-Throughput Materials Development

Deem M.W., University of California, Los Angeles, US

By analogy with Monte Carlo algorithms, we discuss new strategies for design and redesign of libraries in high-throughput experimentation, or combinatorial chemistry. Several Monte Carlo methods are examined, including Metropolis, several types of biased schemes, [...]

The Inverse Band Structure Approach: Given the desired electronic property, find the atomic configuration

Zunger A., National Renewable Energy Laboratory, US

Modern crystal-growth techniques, such as molecular beam epitaxy or metal-organic chemical-vapour deposition, are capable of producing prescribed crystal structures, sometimes even in defiance of equilibrium, bulk thermodynamics. These techniques open up the possibility of exploring [...]

The Number of Human Genes and Proteins

Davison D., Bristol-Myers Squibb, Pharmaceutical Research Institute, US

The definitive prototype for nanotechnology is the cell. Its many machines and exquisitely controlled internal and external movements are a reference for all researchers working in the field. The complete instructions for every molecular machine [...]