104 citations · 380 across the 7 of their papers we have counts for
7 papers
Discrete molecular dynamics simulations of peptide aggregation
S. Peng, F. Ding, B. Urbanc +4
We study the aggregation of peptides using the discrete molecular dynamics simulations. At temperatures above the alpha-helix melting temperature of a single peptide, the model pep…
A possible mechanism for cold denaturation of proteins at high pressure
Manuel I. Marques, Jose M. Borreguero, H. Eugene Stanley +1
We study cold denaturation of proteins at high pressures. Using multicanonical Monte Carlo simulations of a model protein in a water bath, we investigate the effect of water densit…
Glassy behavior of a homopolymer from molecular dynamics simulations
Nikolay V. Dokholyan, Estelle Pitard, Sergey V. Buldyrev +1
We study at- and out-of-equilibrium dynamics of a single homopolymer chain at low temperature using molecular dynamics simulations. The main quantities of interest are the average…
Thermodynamically Important Contacts in Folding of Model Proteins
Antonio Scala, Nikolay V. Dokholyan, Sergey V. Buldyrev +1
We introduce a quantity, the entropic susceptibility, that measures the thermodynamic importance-for the folding transition-of the contacts between amino acids in model proteins. U…
Flow Between Two Sites on a Percolation Cluster
José S. Andrade, Sergey V. Buldyrev, Nikolay V. Dokholyan +5
We study the flow of fluid in porous media in dimensions and 3. The medium is modeled by bond percolation on a lattice of sites, while the flow front is modeled by trac…
Dependence of Conductance on Percolation Backbone Mass
Gerald Paul, Sergey V. Buldyrev, Nikolay V. Dokholyan +4
On two-dimensional percolation clusters at the percolation threshold, we study , the average conductance of the backbone, defined by two points separated by Euclidean d…