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- California Institute of TechnologyUS6 papers
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physics.bio-ph2007
Demonstrated convergence of the equilibrium ensemble for a fast united-residue protein model
F. Marty Ytreberg, Svetlana Kh. Aroutiounian, Daniel M. Zuckerman
Due to the time-scale limitations of all-atom simulation of proteins, there has been substantial interest in coarse-grained approaches. Some methods, like "Resolution Exchange," [E…
physics.bio-ph2004
Peptide Conformational Equilibria Computed via a Single-Stage Shifting Protocol
F. Marty Ytreberg, Daniel M. Zuckerman
We study the conformational equilibria of two peptides using a novel statistical mechanics approach designed for calculating free energy differences between highly dis-similar conf…