Improving virtual screening results with MM/GBSA and MM/PBSA rescoring

Journal of Computer-Aided Molecular Design - Virtual screening (VS) based on molecular docking is one of the most useful methods in computer-aided drug design. By allowing to identify...     

Hard disk magnetic domain nano-spatial resolution imaging by using a near-field scanning microwave microscope with an AFM probe tip

A near-field scanning microwave microscope (NSMM) incorporating an atomic force microscope (AFM) probe tip was used for the direct imaging of magnetic domains of a hard disk under an external magnetic field. We directly imaged the magnetic domain changes by measuring the change of reflection coefficient S₁₁ of the NSMM at an operating frequency near 4.4 GHz. Comparison was made to the magnetic force microscope (MFM) image. Using the AFM probe tip coupled to the tuning fork distance control system enabled nano-spatial resolution. The NSMM incorporating an AFM tip offers a reliable means for quantitative measurement of magnetic domains with nano-scale resolution and high sensitivity.     

Collaboration and decision making tools for mobile groups

Nowadays the use of distributed collaboration tools is widespread in many areas of people activity. But lack of mobility and certain equipment-dependency creates difficulties and decelerates development and integration of such technologies. Also mobile technologies allow individuals to interact with each other without need of traditional office spaces and regardless of location. Hence, realization of special infrastructures on mobile platforms with help of ad-hoc wireless local networks could eliminate hardware-attachment and be useful also in terms of scientific approach. Solutions from basic internet-messengers to complex software for online collaboration equipment in large-scale workgroups are implementations of tools based on mobile infrastructures. Despite growth of mobile infrastructures, applied distributed solutions in group decisionmaking and e-collaboration are not common. In this article we propose software complex for real-time collaboration and decision-making based on mobile devices, describe its architecture and evaluate performance.