CpH
CpH is an acronym used in several disciplines, and its exact meaning depends on the context. In computational chemistry and biophysics, CpH most often stands for constant pH, as in CpHMD (constant-pH molecular dynamics). In this approach, the protonation states of ionizable groups in a biomolecule are allowed to fluctuate during molecular dynamics simulations in response to the surrounding pH. Variants include discrete-state and continuous-titration-coordinate formulations. CpHMD enables estimation of pKa values, pH-dependent structural changes, and the effect of protonation on binding and catalysis. Typical outputs include protonation-state populations and pH-dependent free-energy profiles.
In acid-base and protein chemistry, CpH is sometimes used to denote the critical pH, the pH at
Because CpH is not a standardized term, it is essential to consult the source for its precise