volume 83, issue 12, P2186-2197 2015
DOI: 10.1002/prot.24935
View full text
|
Sign up to set email alerts
|
Share

Abstract: We developed a Poisson-Boltzmann based approach to calculate the PKa values of protein ionizable residues (Glu, Asp, His, Lys and Arg), nucleotides of RNA and single stranded DNA. Two novel features were utilized: the dielectric properties of the macromolecules and water phase were modeled via the smooth Gaussian-based dielectric function in DelPhi and the corresponding electrostatic energies were calculated without defining the molecular surface. We tested the algorithm by calculating PKa values for more tha…

Expand abstract

Search citation statements

Order By: Relevance

Citation Types

3
105
0

Paper Sections

0
0
0
0
0

Publication Types

0
0
0
0

Relationship

0
0

Authors

Journals