Biomaterials – Page 94 – TechConnect Briefs

Fast Density-Functional-Theory Calculation With Q-Chem Program

Kong J., Brown S.T., Fusti-Monlar L., Shao Y., Q-Chem Inc., US

DFT (Density functional Theory) is an essential tool in the molecular modeling, especially for studies in biology and nanotechnology. A new algorithm is presented to improve the efficiency of the computation of exchange-correlation contributions, a [...]

A Simple Surface Representation Scheme for Rigid Body Docking

Tripathi V.K., Dasgupta B., Deb K., Voruganti H.K., Indian Institute of Technology, IN

In this paper, a new approach is proposed for modeling the surface patches of protein molecules for rigid body docking. The scheme presented in this paper for surface representation is simple and efficient. The proposed [...]

Computational Proof-of-Concept of Next-Generation Nucleotide–Tunneling-Current-Based Nanopore Sequencing Devices

Sengupta D., Jenkins J., Sikorski Z., Sundaram S., CFD Research Corporation, US

A complete knowledge of the DNA sequence of an individual can yield fundamental insight into disease diagnosis, treatment and possibly prevention. To date the most reliable method of determining a genetic sequence is through the [...]

Molecular Dynamics Simulation of a Single Stranded (ss) DNA

Chatterjee S., Gersten B., Thakur S., Burin A., Queens College, CUNY, US

The objective of this study was to develop an understanding of the essential physical properties of short-single stranded DNA (ssDNA) towards the development of new DNA based biosensors. To achieve this goal, various thermodynamic properties [...]

Modeling of Cellular Communication

Barjis I., Barjis J., Samarrai W., Augustin I., Barjis I., Barjis J., New York City College of Technology, US

This paper introduces application of Rule based to molecular biology. In particular, it illustrates how by means of rule based the process of cellular communication can be modeled, and analyzed, where the model could be [...]

Computational Modeling in Life Sciences

Increasing the Thermal Stability of Self-Assembling DNA Nanostructures by Incorporation of isoG/isoC Base Pairs

Ho K., Li H., Roesch E.B., Sherrill C.B., Prudent J.R., LaBean T.H., Duke University, US

Self-assembling DNA nanostructures are currently being developed for a variety of applications in nanofabrication and molecular computing. For many uses, these nanostructures would benefit from increased thermal stability. However, increasing the lengths of sticky-ends that [...]

Patterned nanofiber meshes for biomedical applications

Neves N.M., Campos R., Pedro A., Cunha J., Macedo F., Reis R.L., University of Minho, PT

The typical end-product of the electrospinning process is a randomly aligned fibre mesh or membrane. This is a result of the electric field generated between the drop of polymer solution at the needle and the [...]

In vitro testing of the penetration and permeation of nanomaterials on a artificial human skin model

Weimer M., Mertsching H., Brunner H., Fraunhofer Institute of Interfacial Engineering and Biotechnology, DE

We established a tissue engineered 3D human skin model. This interactive 3D-co-cultre consists of living human primary keratinocytes with a well-differentiated stratum corneum and an epidermal layer. The dermal layer is composed of a Type [...]

Improvement of Polycaprolactone Nanofibers Topographies: Testing the Influence in Osteoblastic Proliferation

Martins A., Cunha J., Macedo F., Reis R.L., Neves N.M., University of Minho, PT

The nanofiber technology of present interest focuses on the electrospinning technique, which conveniently allows the preparation of fibrous materials with very fine diameters ranging from submicron to several nanometers. With the ability to form nanofibrous [...]