Sharon M. Loverde, PhD, is an Associate Professor in the Chemistry department at College of Staten Island, a senior campus at the City University of New York (CUNY).  She is also a faculty member of the Graduate Center of CUNY in the areas of Chemistry, Biochemistry, and Physics.  Dr. Loverde’s research focuses on molecular dynamics simulations of self-assembly in soft and biological systems.  In particular, Dr. Loverde is interested in the development of multi-scale simulation toolsets to predict the structure and stability of assemblies ranging from supramolecular fibers composed of peptide amphiphiles to microtubules, a supramolecular filament found in the cytoskeleton.  Dr. Loverde is also strongly interested in the development of simulation methodologies to probe the interactions of hydrophobic drugs with model polymeric and phospholipid membranes, as well as macromolecular assemblies stabilized by electrostatics.  Dr. Loverde was an NIH NRSA Postdoctoral Fellow who worked with Dennis E. Discher (UPenn) and Michael L. Klein (Temple).  She received her PhD in Materials Science and Engineering from Northwestern University working with Monica Olvera de la Cruz. 



PhD Materials Science and Engineering, Northwestern University

BS Physics University of Illinois Urbana-Champaign

Scholarship / Publications

Recent Selected Publications 

1.  "Molecular Dynamics Simulations of Supramolecular Anticancer Nanotubes," Myungshim Kang, Kaushik Chakraborty, and Sharon M. Loverde, Journal of Chemical Information and Modeling, 56, 1164-1168 (2018).  

2. "Nucleotide State Effect on the Protofilament Conformation of Tubulin Octamers," Anjela Manandhar, Myungshim Kang, Kaushik Chakraborty, and Sharon M. Loverde, Journal of Physical Chemistry B, 122, 6164-6178, (2018).  

3.  "Glassy Worm-Like Micelles in Solvent and Shear-Mediated Shape Transitions," Kaushik Chakraborty, Kandaswamy Vijayan, Andre Brown, Dennis E. Discher, Sharon M. Loverde, Soft Matter, 2018, DOI: 10.1039/C8SM00080H.  L

4. "Isomeric Control of the Mechanical Properties of Supramolecular Filament Hydrogels," Yi-An Lin,Myungshim Kang, Wei-Chiang Chen,Yu-Chuan Ou, Andrew G. Cheetham, Pei-Hsun Wu, Denis Wirtz, Sharon M. Loverde and Honggang Cui, Biomaterials Science, 6, 216-2214 (2018).  

5.  "Coarse-grained molecular dynamics studies of the structure and stability of peptide-based drug amphiphile filaments," Myungshim Kang, Honggang Cui, and Sharon M. Loverde, Soft Matter, 13, 7721-7730 (2017).  DOI: 10.1039/c7sm00943g (2017).  

6.  "Molecular Simulations of Peptide Amphiphiles," Anjela Manandhar, Myungshim Kang, Kaushik Chakraborty, Phu Tang, and Sharon M. Loverde, Organic and Biomolecular Chemistry, 15, 7993-8005 (2017).  

7. "Asymmetric Breathing Motions of Nucleosomal DNA and the Role of Histone Tails," Kaushik Chakraborty and Sharon M. Loverde, Journal of Chemical Physics, 147,  065101 (2017). 

8. "Characterization of Hydrophobic Collapse of Polystyrene in Water Using Free Energy Techniques," Mihaela Drenscko and Sharon M. Loverde, Molecular Simulation, 43, 234-241 (2017).  

9. “π-π Stacking Mediated Chirality in Functional Supramolecular Filaments,” Myungshim Kang, Pengcheng Zhang, Honggang Cui, Sharon M. Loverde, Macromolecules, 49 (3), 993-1001 (2016). 

10.  “Molecular Simulation of the Concentration-Dependent Interaction of Hydrophobic Drugs with Model Membranes,” Myungshim Kang and Sharon M. Loverde, Journal of Physical Chemistry B, 118, 11965-11972 (2014).  

11.  "Molecular Simulation of the Transport of Drugs across Model Membranes," Sharon M. Loverde, Journal of Physical Chemistry Letters, 5, 1669-1675 (2014).  

12.  "Computer Simulation of Polymer and Biopolymer Self-Assembly for Drug Delivery," Sharon M. Loverde, Molecular Simulation, 40, 794-801 (2014).

13. “Nanoparticle Shape Improves Delivery: Rational Coarse Grain Molecular Dynamics (rCG-MD) of Taxol in Worm-Like PEG-PCL Micelles,” S. M. Loverde, M. L. Klein, D. E. Discher, Adv. Mater., 24, 3823-3830 (2012).