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. 2010 Nov 2;107(46):19838–19843. doi: 10.1073/pnas.1012985107

Table 1.

Combinatorial libraries designed from different sources of structural information

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xtal-1: library based on single-state design of the crystal structure. NMR-1: library based on single-state design of the constrained minimized average NMR solution structure. NMR-60: library based on multistate design of the 60-member NMR structural ensemble. cMD-128: library based on multistate design of the constrained molecular dynamics ensemble. uMD-128: library based on multistate design of the unconstrained molecular dynamics ensemble.