Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis
[Review of ]. CHEMICAL REVIEWS, 121(4), 2545–2647.
2020 journal article
Development of a coarse-grained lipid model, LIME 2.0, for DSPE using multistate iterative Boltzmann inversion and discontinuous molecular dynamics simulations
FLUID PHASE EQUILIBRIA, 521.
Structural insights into peptide self-assembly using photo-induced crosslinking experiments and discontinuous molecular dynamics
2019 journal article
Molecular insights into the surface-catalyzed secondary nucleation of amyloid-beta(40) (A beta(40)) by the peptide fragment A beta(16-22)
SCIENCE ADVANCES, 5(6).
2018 journal article
Simulations and experiments delineate amyloid fibrilization by peptides derived from glaucoma-associated myocilin
Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 122(22), 5845–5850.
2017 journal article
Extended concerted rotation technique enhances the sampling efficiency of the computational peptide-design algorithm
Journal of Chemical Theory and Computation, 13(11), 5709–5720.
2016 journal article
N-terminal prion protein peptides (PrP(120-144)) form parallel in-register beta-sheets via multiple nucleation-dependent pathways
Journal of Biological Chemistry, 291(42), 22093–22105.