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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
Title Alternative (English)
A Parallel Algorithm to Calculate Second Derivatives of Conformational Energy in Proteins with Any Branched Sidechains
File
language
eng
Author
Hara, Heihachiro
Kayano, Takashi
Kanahiro, Kazuhiko
Go, Nobuhiro
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.
Journal Title
Memoirs of the Faculty of Science, Shimane University
Volume
24
Start Page
139
End Page
148
ISSN
03879925
Published Date
1990-12-25
NCID
AN00108106
Publisher
島根大学理学部
Publisher Aalternative
The Faculty of Science, Shimane University
NII Type
Departmental Bulletin Paper
OAI-PMH Set
Faculty of Science and Engineering
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