Benchmarking In Silico Tools for Cysteine pKa Prediction

Awoonor-Williams, E; Golosov, AA; Hornak, V

Awoonor-Williams, E (通讯作者),Novartis Inst Biomed Res, Cambridge, MA 02139 USA.

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2023; 63 (7): 2170

Abstract

Accurate estimation of the pKa's of cysteine residues in proteins could inform targeted approaches in hit discovery. The pKa of a targetable cysteine ......

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