Electrostatic free energy calculations for macromolecules: A hybrid molecular dynamics/continuum electrostatics approach

Journal of Physical Chemistry B

Volumn 104, Issue 28, 2000, Pages 6509-6513

  Simonson, Thomas ^a  

^a INSTITUT DE GÉNÉTIQUE ET DE BIOLOGIE MOLÉCULAIRE ET CELLULAIRE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONTINUUM MECHANICS; ELECTROSTATICS; MACROMOLECULES; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NUMERICAL METHODS; PERMITTIVITY; PROTEINS; SOLVENTS;

ASPARTYL TRNA SYNTHETASE; CHARGED ASPARTATE LIGAND; CONTINUUM ELECTROSTATICS; MOLECULAR DYNAMICS SIMULATION; SOLVATED MACROMOLECULE;

FREE ENERGY;

EID: 0034225199     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0014317     Document Type: Article

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