Predicting minimum energy structure of a peptide via a modified potential smoothing kernel
A global optimization approach is proposed for finding the global minimum energy configuration of a peptide. First, the original nonsmooth total potential energy function of a peptide, composed using the AMBER model, is transformed to a smoother function (shifted-impulsive transformation) via a pro...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Institute for Mathematical Research, Universiti Putra Malaysia
2008
|
| Online Access: | http://psasir.upm.edu.my/id/eprint/12595/ http://psasir.upm.edu.my/id/eprint/12595/1/03.LEONG_WAH_JUNE.pdf |
| _version_ | 1848841881803292672 |
|---|---|
| author | Leong, Wah June Abu Hassan, Malik |
| author_facet | Leong, Wah June Abu Hassan, Malik |
| author_sort | Leong, Wah June |
| building | UPM Institutional Repository |
| collection | Online Access |
| description | A global optimization approach is proposed for finding the global minimum energy configuration of a peptide. First, the original nonsmooth total potential energy function of a peptide, composed using the AMBER model, is transformed to a
smoother function (shifted-impulsive transformation) via a procedure performed for each pair potential that constitute the total potential energy function. Then, the Potential Smoothing and Search (PSS) procedure is used to provide the global minimum. Based on this procedure global optimum solution is generated for a synthesis peptide named Compstatin. |
| first_indexed | 2025-11-15T07:50:17Z |
| format | Article |
| id | upm-12595 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T07:50:17Z |
| publishDate | 2008 |
| publisher | Institute for Mathematical Research, Universiti Putra Malaysia |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-125952015-06-04T01:38:49Z http://psasir.upm.edu.my/id/eprint/12595/ Predicting minimum energy structure of a peptide via a modified potential smoothing kernel Leong, Wah June Abu Hassan, Malik A global optimization approach is proposed for finding the global minimum energy configuration of a peptide. First, the original nonsmooth total potential energy function of a peptide, composed using the AMBER model, is transformed to a smoother function (shifted-impulsive transformation) via a procedure performed for each pair potential that constitute the total potential energy function. Then, the Potential Smoothing and Search (PSS) procedure is used to provide the global minimum. Based on this procedure global optimum solution is generated for a synthesis peptide named Compstatin. Institute for Mathematical Research, Universiti Putra Malaysia 2008 Article PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/12595/1/03.LEONG_WAH_JUNE.pdf Leong, Wah June and Abu Hassan, Malik (2008) Predicting minimum energy structure of a peptide via a modified potential smoothing kernel. Malaysian Journal of Mathematical Sciences, 2 (2). pp. 29-39. ISSN 1823-8343; ESSN: 2289-750X http://einspem.upm.edu.my/journal/volume2.2.php |
| spellingShingle | Leong, Wah June Abu Hassan, Malik Predicting minimum energy structure of a peptide via a modified potential smoothing kernel |
| title | Predicting minimum energy structure of a peptide via a modified potential smoothing kernel |
| title_full | Predicting minimum energy structure of a peptide via a modified potential smoothing kernel |
| title_fullStr | Predicting minimum energy structure of a peptide via a modified potential smoothing kernel |
| title_full_unstemmed | Predicting minimum energy structure of a peptide via a modified potential smoothing kernel |
| title_short | Predicting minimum energy structure of a peptide via a modified potential smoothing kernel |
| title_sort | predicting minimum energy structure of a peptide via a modified potential smoothing kernel |
| url | http://psasir.upm.edu.my/id/eprint/12595/ http://psasir.upm.edu.my/id/eprint/12595/ http://psasir.upm.edu.my/id/eprint/12595/1/03.LEONG_WAH_JUNE.pdf |