Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: Applications to the molecular systems and geometric objects

Journal of Computational Chemistry

Volumn 23, Issue 1, 2002, Pages 128-137

  Rocchia, Walter ^a   Sridharan, Sundaram ^b   Nicholls, Anthony ^c   Alexov, Emil ^d   Chiabrera, Alessandro ^e   Honig, Barry ^d  

^a UNIVERSITY OF PISA   (Italy)

^b Pharmacia Corporation ^*  (United States)

^c OpenEye Scientific Software Inc   (United States)

^d Columbia University ^*  (United States)

^e Biophysical and Electronic Engineering Department   (Italy)

Author keywords

Finite difference method; Geometrical objects; Molecular surface; Poisson Boltzmann equation; Solvent accessible surface

Indexed keywords

EID: 0037080244     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1161     Document Type: Article

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