Office: Room 6112A, Rosenstiel Medical Science Building (RMSB), 1600 NW 10th Avenue, Miami, FL 33136
As a member of Dr. Stephan Schurer’s research group, Dr. Terryn holds management, engineering, and research positions within several projects under the National Institutes of Health Big Data to Knowledge (NIH-BD2K) initiative, including the Library of Integrated Network Cellular Signatures Data Coordination and Integration Center (BD2K-LINCS DCIC) and the smartAPI working group.
Dr. Terryn is a computational chemist and cheminformatician with a background in algorithm development and implementation for describing intermolecular interactions. Early work includes development of novel approaches to quantum mechanical descriptions of pi-stacking and quantum tunneling phenomena. Subsequent construction of a quantum tunneling simulator enabled the discovery of novel molecular descriptors for Quantitative Structure Activity Relationships (QSAR). Primary research interests continue a focus on computational methods for describing molecular mechanisms of action/interaction with an emphasis on data driven drug discovery/design. Notable projects within this focus include the development, application, and refinement of reduced dimensionality descriptors for small molecule-protein docking and machine learning techniques to predict small molecule binding targets and drug/pesticide efficacy. Expanded research interests are focused on fundamental aspects of Computer Science and Data Science in a more broad sense, including: large-scale predictive modeling; ontological standards for semantics; and data curation, structuring, and validation.
Amrapali Zaveri, Shima Dastgheib, Trish Whetzel, Ruben Verborgh, Paul Avillach, Gabor Korodi, Raymond Terryn, Kathleen Jagodnik, Pedro Assis, Chunlei Wu and Michel Dumontier. smartAPI: Towards a more intelligent network of Web APIs http://2017.eswc-conferences.org/program/accepted-papers
Raymond J. Terryn III, Krishnan Sriraman, Joel A. Olson, and J. Clayton Baum. In silico simulations of tunneling barrier measurements for molecular orbital-mediated junctions: A molecular orbital theory approach to scanning tunneling microscopy. Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 34, 051402 (2016). http://avs.scitation.org/doi/10.1116/1.4959826
Terryn RJ III, German HW, Kummerer TM, Sinden RR, Baum JC, Novak MJ. Novel computational study on π-stacking to understand mechanistic interactions of Tryptanthrin analogues with DNA. Toxicol Mech Methods. 2014 Jan;24(1):73-9. https://www.ncbi.nlm.nih.gov/pubmed/24156546