A Method of Rapid Calculation of a Second Derivative Martix of Conformational Energy for Large Molecules

スポンサーリンク

概要

• 論文の詳細を見る

• A new algorithm is described to calculate a second derivative matrix of theconformational energy surface for non-cyclic molecules, in which bond lengthsand bond angles are treated as fixed and only torsional angles are treated asind.ependent variables. This algorithm involves a number of operations pro-portional to n', where n is the number of rotatable torsional angles, while con-ventional methods require a number of operations proportional to n'. Therefore,the present method is a very rapid one for large molecules. A ntethod is developedfor rapid calculation of first derivatives, as well.

• 社団法人日本物理学会の論文
• 1983-10-15

著者

• Go Nobuhiro

  Department Of Physics Faculty Of Science Kyoshu University

• Noguchi Toshiyuki

  Department Of Physics Gakushuin University

• GO Nobuhiro

  Department of Physics,Faculty of Science,Kyoshu University

• NOGUTI Toshiyuki

  Department of Physics,Faculty of Science,Kyoshu University

関連論文

• Formulation of Static and Dynamic Conformational Energy Analysis of Biopolymer Systems Consisting of Two or More Molecules
• Formulation of Static and Dynamic Conformational Energy Analysis of Biopolymer Systems Consisting of Two or More Molecules-Avoiding a Singularity in the Previous Method
• X-Ray Diffraction Microscopy by an Electronic Streak Camera System : Techniques, Instrumentations and Measurement
• Optical Activity of Anisotropic Solutions. II
• Dynamics of Native Globular Proteins in Terms of Dihedral Angles
• Cooperative Chemical Kinetics
• Optical Rotatory Powerof Long Helical Polymers
• The Kinetics of the Helix-Coil Transformation of Polypeptides. I
• Optical Activity of Oriented Helices
• A Method of Rapid Calculation of a Second Derivative Martix of Conformational Energy for Large Molecules
• Thermodynamics of small-amplitude conformational fluctuations in native globular proteins.

もっと見る 閉じる

スポンサーリンク