The double cubic lattice method: Efficient approaches to numerical integration of surface area and volume and to dot surface contouring of molecular assemblies

Journal of Computational Chemistry

Volumn 16, Issue 3, 1995, Pages 273-284

  Eisenhaber, Frank ^a   Lijnzaad, Philip ^b   Argos, Patrick ^b   Sander, Chris ^b   Scharf, Michael ^b  

^a HUMBOLDT UNIVERSITY   (Germany)

^b EUROPEAN MOLECULAR BIOLOGY LABORATORY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84986483798     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.540160303     Document Type: Article

References (55)

1. Computing the electric potential of biomolecules: Application of a new method of molecular surface triangulation
2. A boundary element method for molecular electrostatics with electrolyte effects
3. Analytical molecular surface calculation
4. Molecular surface Triangulation
5. Exact calculation of the volume and surface area of fused hard-sphere molecules with unequal atomic radii
6. Surface area of the intersection of three spheres with unequal radii A simplified analytical formula
7. Analytical treatment of the volume and surface area of molecules formed by an arbitrary collection of unequal spheres intersected by planes
8. MSEED: A program for the rapid analytical determination of accessible surface areas and their derivatives
9. Improved strategy in analytic surface calculation for molecular systems: Handling of singularities and computational efficiency
10. Calculation of scattering curves for macromolecules in solution and comparison with results of methods using effective atomic scattering factors
11. Improved technique for calculating X-ray scattering intensity of biopolymers in solution: Evaluation of the form, volume, and surface of a particle
12. Molecular mechanics and molecular shape. V. on the computation of the bare surface area of molecules
13. An algorithm for the representation and computation of supermolecular surfaces and volumes
14. A vectorized algorithm for calculating the accessible surface area of macromolecules
15. GEPOL: An improved description of molecular surfaces II. Computing the molecular area and volume
16. Rapid approximation to molecular surface area via the use of Boolean logic and look-up tables
17. ICM?A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation
18. On searching neighbors in computer simulations of macromolecular systems
19. Calculations of a list of neighbors in Molecular Dynamics simulations
20. Detection of cavities in a set of interpenetrating spheres