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Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy.

Kenichiro TakabaChiduru WatanabeAtsushi TokuhisaYoshinobu AkinagaBiao MaRyo KanadaMitsugu ArakiYasushi OkunoYusuke KawashimaHirotomo MoriwakiNorihito KawashitaTeruki HonmaKaori FukuzawaShigenori Tanaka
Published in: J. Comput. Chem. (2022)
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