most citedDynamics of protein-protein encounter: a Langevin equation approach with reaction patches

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cond-mat.stat-mech2009

Comparative Molecular Dynamics and Monte Carlo Study of Statistical Properties for Coarse-Grained Heteropolymers

Jakob Schluttig, Michael Bachmann, Wolfhard Janke

Employing a simple hydrophobic-polar heteropolymer model, we compare thermodynamic quantities obtained from Andersen and Nose-Hoover molecular dynamics as well as replica-exchange…