52 citations · 240 across the 17 of their papers we have counts for
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Nonequilibrium Dynamics of the Helix-Coil Transition in Polyalanine
Maximilian Conradi, Henrik Christiansen, Suman Majumder +2
In this work, the nonequilibrium pathways of the collapse of the helix-forming biopolymer polyalanine are investigated. To this end, the full time evolution of the helix-coil trans…
Influence of Thermostats on the Dynamics of the Helix-Coil Transition
Maximilian Conradi, Henrik Christiansen, Suman Majumder +2
We present results from all-atom molecular dynamics simulations for the nonequilibrium dynamics of the collapse and helix-coil transition in polyalanine. In particular, we compare…
Temperature and Solvent Viscosity Tune the Intermediates During the Collapse of a Polymer
Suman Majumder, Henrik Christiansen, Wolfhard Janke
Dynamics of a polymer chain in solution gets significantly affected by the temperature and the frictional forces arising due to solvent viscosity. Here, using an explicit solvent f…
Simulating Met-Enkephalin With Population Annealing Molecular Dynamics
Henrik Christiansen, Martin Weigel, Wolfhard Janke
Met-enkephalin, one of the smallest opiate peptides and an important neurotransmitter, is a widely used benchmarking problem in the field of molecular simulation. Through its range…
Dissipative Dynamics of a Single Polymer in Solution: A Lowe-Andersen Approach
Suman Majumder, Henrik Christiansen, Wolfhard Janke
We study the equilibrium dynamics of a single polymer chain under good solvent condition. Special emphasis is laid on varying the drag force experienced by the chain while it moves…
Coarsening and Aging of Lattice Polymers: Influence of Bond Fluctuations
Henrik Christiansen, Suman Majumder, Wolfhard Janke
We present results for the nonequilibrium dynamics of collapse for a model flexible homopolymer on simple cubic lattices with fixed and fluctuating bonds between the monomers. Resu…