Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal of Chemical Theory and Computation.. 2014.
Structural Similarities and Differences between Amyloidogenic and Non-Amyloidogenic Islet Amyloid Polypeptide (IAPP) Sequences and Implications for the Dual Physiological and Pathological Activities of These Peptides. PLoS computational biology. 9:e1003211.. 2013.
Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models. The Journal of Physical Chemistry Letters.. 2014.
The Linker between the Dimerization and Catalytic Domains of the CheA Histidine Kinase Propagates Changes in Structure and Dynamics Important for the Enzymatic Activity. Biochemistry.. 2014.
Ion Mobility Spectrometry Reveals the Mechanism of Amyloid Formation of A beta (25–35) and Its Modulation by Inhibitors at the Molecular Level: Epigallocatechin Gallate and Scyllo-inositol. Journal of the American Chemical Society. 135:16926–16937.. 2013.
A hybrid MD-kMC algorithm for folding proteins in explicit solvent. Physical Chemistry Chemical Physics.. 2014.
How water layers on graphene affect folding and adsorption of TrpZip2. The Journal of Chemical Physics. 141:22D511.. 2014.
Effects of pH and Charge State on Peptide Assembly: The YVIFL Model System. The Journal of Physical Chemistry B. 117:10759–10768.. 2013.
Double Resolution Model for Studying TMAO/Water Effective Interactions. The Journal of Physical Chemistry B. 117:13268–13277.. 2013.
Defining the Molecular Basis of Amyloid Inhibitors: Human Islet Amyloid Polypeptide-Insulin Interactions. Journal of the American Chemical Society.. 2014.
Communication: An existence test for dividing surfaces without recrossing. The Journal of Chemical Physics. 140:041104.. 2014.
A Coarse-Grained Model for Peptide Aggregation on a Membrane Surface. The Journal of Physical Chemistry B.. 2014.