---
res:
bibo_abstract:
- The motion of a biomolecule greatly depends on the engulfing solution, which is
mostly water. Instead of representing individual water molecules, it is desirable
to develop implicit solvent models that nevertheless accurately represent the
contribution of the solvent interaction to the motion. In such models, hydrophobicity
is expressed as a weighted sum of atomic surface areas. The derivatives of these
weighted areas contribute to the force that drives the motion. In this paper we
give formulas for the weighted and unweighted area derivatives of a molecule modeled
as a space-filling diagram made up of balls in motion. Other than the radii and
the centers of the balls, the formulas are given in terms of the sizes of circular
arcs of the boundary and edges of the power diagram. We also give inclusion-exclusion
formulas for these sizes.@eng
bibo_authorlist:
- foaf_Person:
foaf_givenName: Robert
foaf_name: Bryant, Robert
foaf_surname: Bryant
- foaf_Person:
foaf_givenName: Herbert
foaf_name: Herbert Edelsbrunner
foaf_surname: Edelsbrunner
foaf_workInfoHomepage: http://www.librecat.org/personId=3FB178DA-F248-11E8-B48F-1D18A9856A87
orcid: 0000-0002-9823-6833
- foaf_Person:
foaf_givenName: Patrice
foaf_name: Koehl, Patrice
foaf_surname: Koehl
- foaf_Person:
foaf_givenName: Michael
foaf_name: Levitt, Michael
foaf_surname: Levitt
bibo_doi: 10.1007/s00454-004-1099-1
bibo_issue: '3'
bibo_volume: 32
dct_date: 2004^xs_gYear
dct_publisher: Springer@
dct_title: The area derivative of a space-filling diagram@
...