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Correspondingly, standard distance-dependent dielectric constant at 2.0 , which specifies the small backbone fluctuations and electronic polarization in the protein, and conjugated gradient algorithm were used in the successive enhancement of protein crystal structure, including merging of hydrogen atoms, at root mean square deviation (RMSD) of 0.30 under optimized potentials for liquid simulations-3e force field (OPLS-3e) using Protein preparation wizard in the Schrdinger suite-2020.4 45
G., & Singh, N
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