The ONIOM molecular dynamics method for biochemical applications : cytidine deaminase.
スポンサーリンク
概要
- 論文の詳細を見る
We developed and implemented the ONIOM-molecular dynamics (MD) method for biochemical applications. The implementation allows the characterization of the functions of the real enzymes taking account of their thermal motion. In this method, the direct MD is performed by calculating the ONIOM energy and gradients of the system on the fly. We describe the first application of this ONOM-MD method to cytidine deaminase. The environmental effects on the substrate in the active site are examined. The ONIOM-MD simulations show that the product uridine is strongly perturbed by the thermal motion of the environment and dissociates easily from the active site.
- 2007-03-22
論文 | ランダム
- II-A-1 小児消化管出血について
- 47. 小児内視鏡下手術の術中・術後合併症とその対応・対策(第 4 回 日本小児内視鏡手術研究会)
- 18. 腹腔鏡下噴門形成術の術後経過(第 4 回日本小児内視鏡手術研究会)
- 3. 一期的胸腔鏡下手術にて呼吸管理から離脱した両側横隔膜弛緩症の 1 例(第 4 回日本小児内視鏡手術研究会)
- I-A-16 Hirschsprung 病における腸間免疫