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1

Molecular Simulation of the Transport of Drugs across Model Membranes

Loverde, Sharon M.

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 3.69 MB

english, 2014

2

Nanoparticle Shape Improves Delivery: Rational Coarse Grain Molecular Dynamics (rCG-MD) of Taxol in Worm-Like PEG-PCL Micelles

Sharon M. Loverde, Michael L. Klein, Dennis E. Discher

Journal:

Advanced Materials

Year:

2012

Language:

english

File:

PDF, 1.72 MB

english, 2012

3

Thermodynamics of reversibly associating ideal chains

Sharon M. Loverde, Alexander V. Ermoshkin, Monica Olvera De La Cruz

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

2005

Language:

english

File:

PDF, 193 KB

english, 2005

4

Curvature, rigidity, and pattern formation in functional polymer micelles and vesicles – From dynamic visualization to molecular simulation

Sharon M. Loverde, Diego A. Pantano, David A. Christian, Abdullah Mahmud, Michael L. Klein, Dennis E. Discher

Journal:

Current Opinion in Solid State & Materials Science

Year:

2011

Language:

english

File:

PDF, 635 KB

english, 2011

5

Charged Particles on Surfaces: Coexistence of Dilute Phases and Periodic Structures at Interfaces

Loverde, Sharon M., Solis, Francisco J., Olvera de la Cruz, Monica

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 794 KB

english, 2007

6

Filomicelles in nanomedicine – from flexible, fragmentable, and ligand-targetable drug carrier designs to combination therapy for brain tumors

Oltra, Núria Sancho, Swift, Joe, Mahmud, Adbullah, Rajagopal, Karthikan, Loverde, Sharon M., Discher, Dennis E.

Journal:

Journal of Materials Chemistry B

Year:

2013

Language:

english

File:

PDF, 997 KB

english, 2013

7

Molecular Modeling of Paclitaxel Interacting with Membranes

Kang, Myungshim, Loverde, Sharon

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 44 KB

english, 2014

8

Computer simulation of polymer and biopolymer self-assembly for drug delivery

Loverde, Sharon M.

Journal:

Molecular Simulation

Year:

2014

Language:

english

File:

PDF, 458 KB

english, 2014

9

Curvature-Coupled Hydration of Semicrystalline Polymer Amphiphiles Yields flexible Worm Micelles but Favors Rigid Vesicles: Polycaprolactone-Based Block Copolymers

Rajagopal, Karthikan, Mahmud, Abdullah, Christian, David A., Pajerowski, J. David, Brown, Andre E. X., Loverde, Sharon M., Discher, Dennis E.

Journal:

Year:

2010

Language:

english

File:

PDF, 5.30 MB

english, 2010

10

Molecular Simulation of the Concentration-Dependent Interaction of Hydrophobic Drugs with Model Cellular Membranes

Kang, Myungshim, Loverde, Sharon M.

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 6.53 MB

english, 2014

11

Probing the structure of PEGylated-lipid assemblies by coarse-grained molecular dynamics

Shinoda, Wataru, Discher, Dennis E., Klein, Michael L., Loverde, Sharon M.

Journal:

Year:

2013

Language:

english

File:

PDF, 1.31 MB

english, 2013

12

Curvature-driven molecular demixing in the budding and breakup of mixed component worm-like micelles

Loverde, Sharon M., Ortiz, Vanessa, Kamien, Randall D., Klein, Michael L., Discher, Dennis E.

Journal:

Year:

2010

Language:

english

File:

PDF, 437 KB

english, 2010

13

Competing interactions in two dimensional Coulomb systems: Surface charge heterogeneities in coassembled cationic-anionic incompatible mixtures

Loverde, Sharon M., Velichko, Yury S., Olvera de la Cruz, Monica

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 526 KB

english, 2006

14

Multiscale Simulation of Concentration-Dependant Interaction of Hydrophobic Drug with Cell Membrane

Kang, Myungshim, Loverde, Sharon M.

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 35 KB

english, 2015

15

Asymmetric charge patterning on surfaces and interfaces: Formation of hexagonal domains

Loverde, Sharon M., Olvera de la Cruz, Monica

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 821 KB

english, 2007

16

π–π Stacking Mediated Chirality in Functional Supramolecular Filaments

Kang, Myungshim, Zhang, Pengcheng, Cui, Honggang, Loverde, Sharon M.

Journal:

Year:

2016

Language:

english

File:

PDF, 3.40 MB

english, 2016

17

Molecular Modeling of Self-Assembly of Anticancer Drug Amphiphiles

Kang, Myungshim, Cui, Honggang, Loverde, Sharon M.

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 56 KB

english, 2015

18

Characterisation of the hydrophobic collapse of polystyrene in water using free energy techniques

Drenscko, Mihaela, Loverde, Sharon M.

Journal:

Molecular Simulation

Year:

2016

Language:

english

File:

PDF, 1.79 MB

english, 2016

19

Molecular Simulations of Peptide Amphiphiles

Manandhar, Anjela, Kang, Myungshim, Chakraborty, Kaushik, Tang, Phu, Loverde, Sharon

Journal:

Organic & Biomolecular Chemistry

Year:

2017

Language:

english

File:

PDF, 2.46 MB

english, 2017

20

Asymmetric breathing motions of nucleosomal DNA and the role of histone tails

Chakraborty, Kaushik, Loverde, Sharon M.

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 19.96 MB

english, 2017

21

Coarse-grained molecular dynamics studies of the structure and stability of peptide-based drug amphiphile filaments

Kang, Myungshim, Cui, Honggang, Loverde, Sharon

Journal:

Year:

2017

Language:

english

File:

PDF, 2.30 MB

english, 2017

22

Isomeric Control of the Mechanical Properties of Supramolecular Filament Hydrogels

Lin, Yi-An, Kang, Myungshim, Chen, Wei-Chiang, Ou, Yu-Chuan, Cheetham, Andrew, Wu, Pei-Hsun, Wirtz, Denis, Loverde, Sharon, Cui, Honggang

Journal:

Biomaterials Science

Year:

2017

Language:

english

File:

PDF, 1.50 MB

english, 2017

23

Glassy Worm-Like Micelles in Solvent and Shear Mediated Shape Transitions

Chakraborty, Kaushik, Vijayan, Kandaswamy, Brown, Andre, Discher, Dennis, Loverde, Sharon

Journal:

Year:

2018

Language:

english

File:

PDF, 1.81 MB

english, 2018

24

Effect of Nucleotide State on the Protofilament Conformation of Tubulin Octamers

Manandhar, Anjela, Kang, Myungshim, Chakraborty, Kaushik, Loverde, Sharon M.

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 2.21 MB

english, 2018

25

Molecular Dynamics Simulations of Supramolecular Anticancer Nanotubes

Kang, Myungshim, Chakraborty, Kaushik, Loverde, Sharon M.

Journal:

Journal of Chemical Information and Modeling

Year:

2018

Language:

english

File:

PDF, 827 KB

english, 2018

26

Molecular Mechanism for the Role of the H2A and H2B Histone Tails in Nucleosome Repositioning

Chakraborty, Kaushik, Kang, Myungshim, Loverde, Sharon M.

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 2.47 MB

english, 2018

27

Molecular dynamics simulations of the interaction of phospholipid bilayers with polycaprolactone

Drenscko, Mihaela, Loverde, Sharon M.

Journal:

Molecular Simulation

Year:

2019

Language:

english

File:

PDF, 3.23 MB

english, 2019

28

Molecular dynamics simulations of the interaction of phospholipid bilayers with polycaprolactone

Drenscko, Mihaela, Loverde, Sharon M.

Journal:

Molecular Simulation

Year:

2019

File:

PDF, 3.23 MB

2019

29

Rational Coarse Grained Molecular Dynamics Simulations of Supramolecular Anticancer Nanotubes

Manandhar, Anjela, Chakraborty, Kaushik, Tang, Phu K., Kang, Myungshim, Zhang, Pengcheng, Cui, Honggang, Loverde, Sharon M.

Journal:

Journal of Physical Chemistry B

Year:

2019

File:

PDF, 2.28 MB

2019

30

The Interaction of Camptothecin with Model Cellular Membranes

Tang, Phu K., Chakraborty, Kaushik, Hu, William, Kang, Myungshim, Loverde, Sharon M.

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 6.41 MB

2020

31

Molecular simulation of the shape deformation of a polymersome

Chakraborty, Kaushik, Shinoda, Wataru, Loverde, Sharon M.

Journal:

Year:

2020

Language:

english

File:

PDF, 4.66 MB

english, 2020

32

The interaction of supramolecular anticancer drug amphiphiles with phospholipid membranes

Tang, Phu K., Manandhar, Anjela, Hu, William, Kang, Myungshim, Loverde, Sharon M.

Journal:

Nanoscale Advances

Year:

2020

File:

PDF, 2.08 MB

2020