O(NlogN) Continuous electrostatics method for fast calculation of solvation energies of biomolecules

Journal of Computational Chemistry

Volumn 32, Issue 7, 2011, Pages 1368-1376

  Fedichev, P O ^a   Getmantsev, E G ^a   Menshikov, L I ^b  

^a Quantum Pharmaceuticals   (Russian Federation)

^b KURCHATOV INSTITUTE   (Russian Federation)

Author keywords

Born solvation models; continuous electrostatics; continuous solvation model; generalized Born; linear methods for macromolecules; Poisson Boltzmann solver

Indexed keywords

CONTINUOUS ELECTROSTATICS; GENERALIZED BORN; LINEAR METHODS; POISSON-BOLTZMANN; SOLVATION MODELS;

BIOMOLECULES; DISSOCIATION; ELECTROSTATICS; HYPERSONIC AERODYNAMICS; MACROMOLECULES; NUMERICAL METHODS;

SOLVATION;

LIGAND; PROTEIN;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; SOLUBILITY; STATIC ELECTRICITY; SURFACE PROPERTY; THERMODYNAMICS;

LIGANDS; MOLECULAR DYNAMICS SIMULATION; PROTEINS; SOLUBILITY; STATIC ELECTRICITY; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 79953016058     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21719     Document Type: Article

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