| Title Transcription | ニンイ ノ ブンキシタ ソクサ オ モツ タンパクシツ ノ コンフォーメーショナル エネルギー ノ 2ジ ビブン ノ ヘイレツ アルゴリズム
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| Title Alternative (English) | A Parallel Algorithm to Calculate Second Derivatives of Conformational Energy in Proteins with Any Branched Sidechains
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| File | |
| language |
eng
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| Author |
Hara, Heihachiro
Kayano, Takashi
Kanahiro, Kazuhiko
Go, Nobuhiro
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| Description | A protein molecule can be regarded as a set of rigid units and rotatable bonds. We present here a parallel algorithm of calculations for second derivative matrix with respect to dihedral angles around bonds for proteins with any branched side chains. The basic idea of the algorithm for processor array type computers is the introduction of the nearest outside units and related quantities. A method of initial setting and transfer of bond data is also presented in simple mathematical expressions which are easily coded in the computer program.
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| Journal Title |
Memoirs of the Faculty of Science, Shimane University
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| Volume | 24
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| Start Page | 139
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| End Page | 148
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| ISSN | 03879925
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| Published Date | 1990-12-25
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| NCID | AN00108106
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| Publisher | 島根大学理学部
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| Publisher Aalternative | The Faculty of Science, Shimane University
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| NII Type |
Departmental Bulletin Paper
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| OAI-PMH Set |
Faculty of Science and Engineering
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| 他の一覧 |
