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서지반출
Computer Graphics / Molecular Mechanics Studies of ${eta}$-Lactam Antibiotics. Geometry Comparison with X-Ray Crystal Structures
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  • Computer Graphics / Molecular Mechanics Studies of ${eta}$-Lactam Antibiotics. Geometry Comparison with X-Ray Crystal Structures
  • Computer Graphics / Molecular Mechanics Studies of ${eta}$-Lactam Antibiotics. Geometry Comparison with X-Ray Crystal Structures
저자명
Chung. Sung-Kee,Chodosh. Daniel F.
간행물명
Bulletin of the Korean Chemical Society
권/호정보
1989년|10권 2호|pp.185-190 (6 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

Geometries for a number of representative ${eta}$ -lactam antibiotics (penams, cephems and monobactams) have been calculated by computer graphics/molecular mechanics energy minimization procedures using both MM2 and AMBER force fields. The calculated geometries have been found in reasonable agreement with the geometries reported in the X-ray crystal structures, especially in terms of the pyramidal character of the amide nitrogen in the ${eta}$-lactam ring and the Cohen distance. Based on these calculations, it is suggested that the nitrogen atom in the monobactams may also have pyramidal geometries in the biologically active conformations.