We are currently focused on using streaming data systems in connection with high performance and cloud based computer systems to enable feedback and control for addressing physiologically important research questions. Our most recent work is in developing the Metabolic Compass App (see http://www.metaboliccompass.com). This is an iPhone based ResearchKit/HealthKit App that supports the electronic consent and data collection and analysis of health related temporal information. Our research goal is to enable participants to see their health data in the context of circadian timing and to test ideas behind intermittent fasting and time-restricted feeding in a large population. This is very similar, though at a different scale to our work with molecular dynamics systems: the analysis and understanding of temporally defined information.
We also continue to work towards understanding and control of large-scale conformational molecular changes that drive function. This includes ongoing projects that are focused on database controls for molecular dynamics systems. We have developed new algorithms (Dynamic Importance Sampling) and our information-based order parameter. The current projects includes collaborations with Mario Amzel, Phil Cole and Peter Devreotes on PIP2/PIP3 signaling through PI3K, AKT, and PTEN; work with Svetlana Lutsenko’s group on copper transporting membrane pumps, and our continued development of MDDB (Molecular Dynamics Database) and Molecular Marshal: database feedback and control platforms for use on local and distributed computers. We are in the process of generalizing these platforms to other scientific problems and are active contributors to IDIES (Institute for Data Intensive Engineering and Sciences) and MARCC (Maryland Advanced Research Computer Center) at JHU.