Error and efficiency of replica exchange molecular dynamics simulations

Optimal temperature ladders in replica exchange simulations

(2009) Robert Denschlag et al.   CHEMICAL PHYSICS LETTERS

Thermostat Artifacts in Replica Exchange Molecular Dynamics Simulations

(2009) Edina Rosta et al.   Journal of Chemical Theory and Computation

Efficiency reduction and pseudo-convergence in replica exchange sampling of peptide folding–unfolding equilibria

(2008) Robert Denschlag et al.   CHEMICAL PHYSICS LETTERS

Comparison of sampling efficiency between simulated tempering and replica exchange

(2008) Cheng Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Exchange frequency in replica exchange molecular dynamics

(2008) Daniel Sindhikara et al.   JOURNAL OF CHEMICAL PHYSICS

How Efficient Is Replica Exchange Molecular Dynamics? An Analytic Approach

(2008) Hugh Nymeyer   Journal of Chemical Theory and Computation

Ensuring Mixing Efficiency of Replica-Exchange Molecular Dynamics Simulations

(2008) Mark J. Abraham et al.   Journal of Chemical Theory and Computation

Simple Continuous and Discrete Models for Simulating Replica Exchange Simulations of Protein Folding†

(2008) Weihua Zheng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Optimized Explicit-Solvent Replica Exchange Molecular Dynamics from Scratch

(2008) Walter Nadler et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Coarse Master Equations for Peptide Folding Dynamics†

(2008) Nicolae-Viorel Buchete et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Peptide folding kinetics from replica exchange molecular dynamics

(2008) Nicolae-Viorel Buchete et al.   PHYSICAL REVIEW E