DelEnsembleElec: Computing Ensemble-Averaged Electrostatics Using DelPhi

DOI10.4208/cicp.170711.111111szbMath1373.92008OpenAlexW2184063707MaRDI QIDQ4588748

Rommie E. Amaro, Lane W. Votapka, Maxim Zhenirovskyy, Luke Czapla

Publication date: 27 October 2017

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

Full work available at URL: https://semanticscholar.org/paper/5c42180141fa1ced3539d0dab697e39ef5c9b1e5

zbMATH Keywords

Poisson-Boltzmann equationensemble-averaged electrostatic calculations

Mathematics Subject Classification ID

Biophysics (92C05) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

Related Items (1)

DelEnsembleElec

Uses Software

• AMBER
• CHARMM
• PDB2PQR
• DelPhi Web Server
• VMD

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