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논문 기본정보
페닐티오우레아 유도체와 카테콜 산화효소와의 상호작용에 대한 분자역학적 모의실험
논문 개요
| 기관명 | NDSL |
|---|---|
| 저널명 | 약학회지 |
| ISSN | 0377-9556, |
| ISBN |
논문저자 및 소속기관 정보
| 저자(한글) | |
|---|---|
| 저자(영문) | |
| 소속기관 | |
| 소속기관(영문) | |
| 출판인 | |
| 간행물 번호 | |
| 발행연도 | 2016-01-01 |
| 초록 | N-Phenylthiourea derivatives and catechol oxidase receptor complex was studied using molecular mechanics method. The starting structure was adopted from the protein databank and the calculation of energy minimization and molecular dynamics was performed with AMBER package. The molecular dynamics showed that the simulation time span of 20 ns was long enough to observe the interaction profile and stationary ligand-receptor configuration in the complex. The conformation of the ligand was related to the interaction to the receptor and the efficacy was also interpreted in this context. |
| 원문URL | http://click.ndsl.kr/servlet/OpenAPIDetailView?keyValue=03553784&target=NART&cn=JAKO201615262489208 |
| 첨부파일 |
추가정보
| 과학기술표준분류 | |
|---|---|
| ICT 기술분류 | |
| DDC 분류 | |
| 주제어 (키워드) | metalloprotein,catechol oxidase,molecular mechanics,ligand-receptor complex |