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| 001 | 834630 | ||
| 005 | 20240625095112.0 | ||
| 024 | 7 | _ | |a 10.1016/j.jmgm.2016.11.008 |2 doi |
| 024 | 7 | _ | |a 1093-3263 |2 ISSN |
| 024 | 7 | _ | |a 1873-4243 |2 ISSN |
| 024 | 7 | _ | |a WOS:000394062800020 |2 WOS |
| 037 | _ | _ | |a FZJ-2017-04538 |
| 082 | _ | _ | |a 540 |
| 100 | 1 | _ | |a Quan, Chaoyu |0 0000-0003-3246-8989 |b 0 |
| 245 | _ | _ | |a Meshing molecular surfaces based on analytical implicit representation |
| 260 | _ | _ | |a New York, NY [u.a.] |c 2017 |b Elsevier |
| 336 | 7 | _ | |a article |2 DRIVER |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |b journal |m journal |0 PUB:(DE-HGF)16 |s 1499669802_7972 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 520 | _ | _ | |a We develop an algorithm for meshing molecular surfaces that is based on patch-wise meshing using an advancing-front method adapted to the particular case of molecular surfaces. We focus on the solvent accessible surface (SAS) and the solvent excluded surface (SES). The essential ingredient is a newly developed analysis of such surfaces in [18] that allows to describe all SES-singularities a priori and therefore a complete characterization of the SES. In addition, an algorithm for filling molecular inner holes is proposed based on the pre-computed data structures of molecular surfaces. |
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| 700 | 1 | _ | |a Stamm, Benjamin |0 P:(DE-Juel1)169312 |b 1 |e Corresponding author |
| 773 | _ | _ | |a 10.1016/j.jmgm.2016.11.008 |g Vol. 71, p. 200 - 210 |0 PERI:(DE-600)1491488-8 |p 200 - 210 |t Journal of molecular graphics and modelling |v 71 |y 2017 |x 1093-3263 |
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