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URL:
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http://bioserv.rpbs.jussieu.fr/Help/PCE.html
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What you can do:
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Perform protein electrostatic computations.
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Highlights:
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- PCE is an online service for protein electrostatic computations presently based on the MEAD (macroscopic electrostatics with atomic detail) package.
- This computer method uses a macroscopic electrostatic model for the calculation of protein electrostatic properties, such as pK(a) values of titratable groups and electrostatic potentials.
- The MEAD package generates electrostatic energies via finite difference solution to the Poisson-Boltzmann equation.
- Users submit a PDB file and PCE returns potentials and pK(a) values as well as color (static or animated) figures displaying electrostatic potentials mapped on the molecular surface.
- This service is intended to facilitate electrostatics analyses of proteins and thereby broaden the accessibility to continuum electrostatics to the biological community.
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Keywords:
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- pK constant prediction tool
- protonation equilibrium constants prediction tool
- protein pKa prediction tool
- protein electrostatic properties analysis tool
- protein electrostatistics
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Literature and Tutorials:
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PubMed Link: PCE -- web tools to compute protein continuum electrostatics
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