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doi: 10.1080/10408398.2022.2130160
Wu SF, Zhu ZF, Kong Y, Zhang HP, Zhou GQ, Jiang QT
Let us break it down with a real example
Superposition of PF-06372222-bound crystal structure (containing the C347 6.36b F mutation), with crystal structure based molecular dynamic simulations of F347 shown in blue (500 ns) and of simulations C347 (6.36b mutated back to cysteine) shown in pink (500 ns)