Between Algorithm and Model: Different Molecular Surface Definitions for the Poisson-Boltzmann Based Electrostatic Characterization of Biomolecules in Solution

DOI10.4208/cicp.050711.111111szbMath1373.92005OpenAlexW98257838WikidataQ36695982 ScholiaQ36695982MaRDI QIDQ4588740

Michela Spagnuolo, Emil Alexov, Chiara Eva Catalano, Jose Colmenares, Sergio Decherchi, Walter Rocchia

Publication date: 27 October 2017

Published in: Communications in Computational Physics (Search for Journal in Brave)

Full work available at URL: http://europepmc.org/articles/pmc3601494

zbMATH Keywords

Connolly-Richards surfaceelectrostatic computationPoisson-Boltzmann calculations

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Computational methods for problems pertaining to biology (92-08)

Related Items (1)

Progress in developing Poisson-Boltzmann equation solvers

Uses Software

• DelPhi Web Server
• Voro++
• ReMESH
• MetaMol
• SIMS

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