Novel interaction FP for CADD #chemoinfo

I am not familiar with CADD such as Docking, MD and ab initio calculation but interested in. Recently I read novel interaction FP between protein and ligand reported in Journal of chemoinformatics. It shows good performance. URL is below. https://jcheminf.springeropen.com/track/pdf/10.1186/s13321-018-0264-0 The author propose novel FP protein per atom score contributions derived interaction fingerprint (PADIF) basedContinue reading “Novel interaction FP for CADD #chemoinfo”

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