Dr. Sagui received her Doctorate in Physics from the University of Toronto in 1995 and her Licentiate degree in the National University of San Luis, Argentina. Dr. Sagui performed postdoctoral work at McGill University (1995-1997) and National Institutes of Environmental and Health Sciences (1998-2000). In 2000, she joined NCSU as an Assistant Professor. In 2009 she became Full Professor at NCSU.
Area(s) of Expertise
Dr. Sagui’s research interests include computational biophysics, methodology for accurate and efficient biomolecular simulations, free energy methods, electrostatics, structure of proteins and nucleic acids, statistical mechanics, phase separation, and nucleation processes. Recent methodological work has focused on the development of free-energy methods for large-scale biomolecular simulations, and methodological developments for the accurate and efficient treatment of electrostatics. Resulting codes have been implemented in the AMBER (vs. 10-14) simulation package, of which Dr. Sagui is a co-author. Recent systems under study include structure and transitions of nucleic aids and proteins, molecular and ion solvation, modulated condensed matter systems for nanotechnology applications. To explore the interesting properties of these systems, she uses a range of computational methods such as quantum chemistry, density functional theory, classical molecular dynamics, phase-field models and hydrodynamics equations. Dr. Sagui is faculty affiliate in Genomics Sciences at NCSU, and member of the Center for High Performance Simulation at NCSU.
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- Molecular conformations and dynamics of nucleotide repeats associated with neurodegenerative diseases: double helices and CAG hairpin loops , COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (2021)
- The F19W mutation reduces the binding affinity of the transmembrane A beta(11-40) trimer to the membrane bilayer , RSC ADVANCES (2021)
- Atypical structures of GAA/TTC trinucleotide repeats underlying Friedreich's ataxia: DNA triplexes and RNA/DNA hybrids , NUCLEIC ACIDS RESEARCH (2020)
- E-motif formed by extrahelical cytosine bases in DNA homoduplexes of trinucleotide and hexanucleotide repeats , Nucleic Acids Research (2018)
- Structural and dynamical characterization of DNA and RNA quadruplexes obtained from the GGGGCC and GGGCCT hexanucleotide repeats associated with C9FTD/ALS and SCA36 diseases , ACS Chemical Neuroscience (2018)
- Structure and dynamics of DNA and RNA double helices obtained from the CCG and GGC trinucleotide repeats , Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical (2018)
- Structure and dynamics of DNA and RNA double helices obtained from the GGGGCC and CCCCGG hexanucleotide repeats that are the hallmark of C9FTD/ALS diseases , ACS Chemical Neuroscience (2017)
- Structure and dynamics of DNA and RNA double helices of CAG and GAC trinucleotide repeats , Biophysical Journal (2017)
- Amyloid properties of asparagine and glutamine in prion-like proteins , ACS Chemical Neuroscience (2016)
- Comparative melting and healing of B-DNA and Z-DNA by an infrared laser pulse , Journal of Chemical Physics (2016)
Honors and Awards
- Prof. Sagui received a SLOAN Postdoctoral Fellowship in Computational Biology in 1998, an NSF POWRE award (also 1998), and an NSF CAREER award in 2004. She was also NC State's 2002 nominee for the David and Lucile Packard Foundation Fellowship. Dr. Sagui is a Fellow of the American Physical Society.