The thermodynamics of guest complexation to octa-acid and tetra-endo-methyl octa-acid : reference data for the sixth statistical assessment of modeling of proteins and ligands (SAMPL6)
Although computer-aided drug design has greatly improved over time, its application in the pharmaceutical industry is still limited by the accuracy of association constant predictions. Towards improving this situation, the Statistical Assessment of the Modeling of Proteins and Ligands (SAMPL) is a s...
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