高等学校化学学报
高等學校化學學報
고등학교화학학보
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES
2001年
2期
262-264
,共3页
王传忠%朱志昂%李瑛%陈荣悌%文欣%缪方明%陈新滋
王傳忠%硃誌昂%李瑛%陳榮悌%文訢%繆方明%陳新滋
왕전충%주지앙%리영%진영제%문흔%무방명%진신자
手性分子识别%分子力学%分子动力学模拟
手性分子識彆%分子力學%分子動力學模擬
수성분자식별%분자역학%분자동역학모의
用Tripos力场和分子力学方法研究了手性锌卟啉的最低能量构象, 并用分子动力学模拟了锌卟啉对氨基酸甲酯的识别过程. 发现锌卟啉与D-氨基酸酯结合能力强于L-氨基酸, 这与热力学实验结果一致.
用Tripos力場和分子力學方法研究瞭手性鋅卟啉的最低能量構象, 併用分子動力學模擬瞭鋅卟啉對氨基痠甲酯的識彆過程. 髮現鋅卟啉與D-氨基痠酯結閤能力彊于L-氨基痠, 這與熱力學實驗結果一緻.
용Tripos력장화분자역학방법연구료수성자계람적최저능량구상, 병용분자동역학모의료자계람대안기산갑지적식별과정. 발현자계람여D-안기산지결합능력강우L-안기산, 저여열역학실험결과일치.
The minimal energy conformation of a chiral zinc(Ⅱ) porphyrin was studied by using molecular mechanics method on the basis of Tripos force field. The molecular dynamics simulating was performed to investigate the process of chiral recognition. The result shows that the host molecule prefers to D-amino acid ester, which is consistent with that from the experiment.
