https://lysylhydroxylase-signa....l.com/mycn-amplified
In this work, we developed a brand new set of BCC parameters especially for GAFF2 using 442 simple natural solutes covering diverse practical groups in aqueous solution. When compared to initial BCC parameter set, the new parameter set notably reduced the mean unsigned error (MUE) of moisture free energies from 1.03 kcal/mol to 0.37 kcal/mol. Much more excitingly, this brand-new AM1-BCC model additionally showed excellent performance within the solvation no-cost en
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