The method has applications in organic chemistry, particularly within the pharmaceutical industry. A team of scientists has ...

To examine the extent that the proton-transfer residue pKa controls H-cluster protonation and enzyme reactivity (Figure 1), we first evaluated the cysteine pKa values using computational approaches ...

An extensive constant pH replica-exchange molecular dynamics (CpH-REMD) simulation study on the enzyme human carbonic anhydrase (HCA) II has been carried out to compute the pKa of the side chains of ...

They then form covalent disulfide bonds with accessible thiol groups of cysteine residues on the targeted receptor protein, inhibiting the activity of the acid-secreting, hydrogen- potassium ...

PCNA in Pan-Cancer: A Prognostic Biomarker Unveiled Through a Data-Driven, Multidimensional Analysis of Transcriptomics, Immunity, and Functional Profiling ...