GEPOL: An improved description of molecular surfaces. I. Building the spherical surface set

Journal of Computational Chemistry

Volumn 11, Issue 9, 1990, Pages 1047-1060

  Pascual‐Ahuir, Juan Luis ^a   Silla, Estanislao ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84986532189     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.540110907     Document Type: Article

References (29)

1. Evaluation of the dispersion contribution to the solvation energy. A simple computational model in the continuum approximation
2. Analytical molecular surface calculation
3. An algorithm for the representation and computation of supermolecular surfaces and volumes
4. Electrostatic interaction of a solute with a continuum. Improved description of the cavity and of the surface cavity bound charge distribution.
5. Quantum Chemistry—Basic Aspects, Actual Trends
6. Fractal surface dimension of proteins: Lysozyme