This paper describes the freely available web server http://biophysics.cs.vt.…

• Abstract
• Introduction
• Materials and Methods
• Conclusion
• References
• Figure

Biology Articles » Biophysics » H++: a server for estimating pKas and adding missing hydrogens to macromolecules » Figure

Figure

- H++: a server for estimating pKas and adding missing hydrogens to macromolecules

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Figure 1 Flowchart of computations performed by the H++ server described here. The input is a structure file in either PDB or PQR (PDB + charges + radii) format. The output includes computed pK_1/2 values for all titratable groups, as well as titration curves, isoelectric point and the original structure, in which the protonation states of all ionization groups have been made consistent with the calculated pKs. The generated structure is available in several formats used by popular molecular modeling packages.

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