Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations
We are delighted to announce the publication of this paper, [...]
Challenges of docking in large, flexible and promiscuous binding sites
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The Differential Response of Proteins to Macromolecular Crowding
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pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data
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Long-timescale dynamics of the Drew-Dickerson Dodecamer
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Multiscale simulation of DNA
Abstract DNA is not only among the most important molecules [...]