513 citations · 1.2k across the 11 of their papers we have counts for
11 papers
Effective energy density determines the dynamics of suspensions of active and passive matter
Ryan Krafnic, Angel E. Garcia
The unique properties of suspensions containing both active (self-propelling) and passive matter, arising from the nonequilibrium nature of these systems, have been widely studied…
Efficient Schmidt number scaling in dissipative particle dynamics
Ryan C. Krafnick, Angel E. Garcia
Dissipative particle dynamics is a widely used mesoscale technique for the simulation of hydrodynamics (as well as immersed particles) utilizing coarse-grained molecular dynamics.…
Arginine-rich peptides destabilize the plasma membrane, consistent with a pore formation translocation mechanism of cell penetrating peptides
H. D. Herce, A. E. Garcia, J. Litt +5
Recent molecular dynamics simulations (Herce and Garcia, PNAS, 104: 20805 (2007)) have suggested that the arginine-rich HIV Tat peptides might be able to translocate by destabilizi…
Folding is Not Required for Bilayer Insertion: Replica Exchange Simulations of an a-Helical Peptide with an Explicit Lipid Bilayer
Hugh Nymeyer, Thomas B. Woolf, Angel E. Garcia
We implement the replica exchange molecular dynamics algorithm to study the interactions of a model peptide (WALP-16) with an explicitly represented DPPC membrane bilayer. We obser…
Protein folding mediated by solvation: water expelling and formation of the hydrophobic core occurs after the structure collapse
Margaret S. Cheung, Angel E. Garcia, Jose N. Onuchic
The interplay between structure-search of the native structure and desolvation in protein folding has been explored using a minimalist model. These results support a folding mechan…
Molecular theories and simulation of ions and polar molecules in water
Gerhard Hummer, Lawrence R. Pratt, Angel E. Garcia
Recent developments in molecular theories and simulation of ions and polar molecules in water are reviewed. The hydration of imidazole and imidazolium solutes is used to exemplify…