Dr. Loverde started as an assistant professor in the Chemistry department at College of Staten Island in 2012. The Loverde laboratory specializes in molecular dynamics simulations of soft and biological materials. Dr. Loverde was an NIH NRSA postdoctoral fellow with Michael L. Klein (Temple University) and Dennis Discher (U Penn). Dr. Loverde obtained her PhD in 2007 in Materials Science and Engineering at Northwestern University working with Monica Olvera de la Cruz.
Department: Chemistry, College of Staten Island
Disciplines: Physical chemistry, soft matter, self-assembly, soft and biological materials
Molecular dynamics simulations of soft and biological materials
Brief Description of Research
The Loverde laboratory specializes in molecular dynamics simulations of soft and biological materials. In addition, they utilize methodologies such as advanced sampling methods and develop specialized coarse grained force-fields.
Publications pertaining to the HPC over the past five years
1. "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, accepted.
2 "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).
3. "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).
4. "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).
5. "Characterization of Hydrophobic Collapse of Polystyrene in Water Using Free Energy Techniques," Mihaela Drenscko and Sharon M. Loverde, Molecular Simulation, 43, 234-241 (2017).
6. “π-π Stacking Mediated Chirality in Functional Supramolecular Filaments,” Myungshim Kang, Pengcheng Zhang, Honggang Cui, Sharon M. Loverde, Macromolecules, 49 (3), 993-1001 (2016).
7. “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).
8. "Molecular Simulation of the Transport of Drugs across Model Membranes," Sharon M. Loverde, Journal of Physical Chemistry Letters, 5, 1669-1675 (2014).
9. "Computer Simulation of Polymer and Biopolymer Self-Assembly for Drug Delivery," Sharon M. Loverde, Molecular Simulation, 40, 794-801 (2014).
10. “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).
Collaborators on the HPCC based Research Project
Honggang Cui, Johns Hopkins