... Methods¹

The features described in this section were contributed by Surjit B. Dixit, Christophe Chipot (Nancy Université, Université Henri Poincaré, France), Floris Buelens (Institute of Structural and Molecular Biology, University of London, Birkbeck, UK), and Christopher Harrison (University of Illinois, Urbana, IL USA).

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... Simulations¹

The features described in this section were implemented by Brian K. Radak (Argonne National Laboratory, Argonne, IL USA) with considerable technical support from James C. Phillips (University of Illinois, Urbana, IL USA) and Wei Jiang (Argonne National Laboratory). The algorithm draws heavily from earlier work by Yunjie Chen and Benoît Roux and later by Donghyuk Suh (University of Chicago, Chicago, IL USA), as well as time spent as a postdoctoral scholar at University of Chicago. Testing and validation were also aided by Christophe Chipot (Université de Lorraine, Vanduvre-lès-Nancy cedex France and University of Illinois).

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