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The Journal of Chemical Physics|November 29, 2014
Communication: estimating the initial biasing potential for λ-local-elevation umbrella-sampling (λ-LEUS) simulations via slow growthNoah S Bieler, Philippe H HünenbergerJournal of Computational Chemistry|July 9, 2015
Orthogonal sampling in free-energy calculations of residue mutations in a tripeptide: TI versus λ-LEUSNoah S Bieler, Philippe H HünenbergerThe Journal of Chemical Physics|May 3, 2015
On the ambiguity of conformational states: A B&S-LEUS simulation study of the helical conformations of decaalanine in waterNoah S Bieler, Philippe H HünenbergerJournal of Chemical Theory and Computation|November 21, 2015
Local Elevation Umbrella Sampling Applied to the Calculation of Alchemical Free-Energy Changes via λ-Dynamics: The λ-LEUS SchemeNoah S Bieler, Rico Häuselmann, Philippe H HünenbergerJournal of Chemical Theory and Computation|November 18, 2015
Multistate λ-local-elevation umbrella-sampling (MS-λ-LEUS): method and application to the complexation of cations by crown ethersNoah S Bieler, Jan P Tschopp, Philippe H HünenbergerJournal of Chemical Theory and Computation|November 25, 2015
Analysis of the Cartesian Tensor Transfer Method for Calculating Vibrational Spectra of PolypeptidesNoah S Bieler, Moritz P Haag, Christoph R Jacob, et al.Plos Computational Biology|October 17, 2012
Connecting macroscopic observables and microscopic assembly events in amyloid formation using coarse grained simulationsNoah S Bieler, Tuomas P J Knowles, Daan Frenkel, et al.Journal of Chemical Theory and Computation|November 18, 2015
Flexible Boundaries for Multiresolution Solvation: An Algorithm for Spatial Multiscaling in Molecular Dynamics SimulationsOliwia M Szklarczyk, Noah S Bieler, Philippe H Hünenberger, et al.Pageof 1