bioinformatics protein structure modeling biotechnology computational biology protein structure prediction kiharalab biology protein design science computer science structural biology kihara lab drug development drug design protein function prediction ismb protein function annotation deep learning computational chemistry drug virtual screening protein-protein docking biophysics structure biology purdue university iibmp artificial intelligence algorithm protein engineering deepmind alphafold nmr casp14 cryo-em bioengineering 3d-sig ismb2018 pharmaceutical industry protein research reports plos computational biology technology ismb2017 machine learning text mining big data medical informatics genome analysis proteomics gene function moonlighting proteins pharmaceutical metabolite pl-patchsurfer patch-surfer pathway casp lzerd virtual screening gene function prediction gene analysis drug molecules research ismb2016
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