ロングタイムスケールのタンパク質の動きのサンプリング:ホルミル-CoA:オキサラートCoAトランスファーゼにおけるアクティブサイトループコンフォメーション自由エネルギーのOSRWシミュレーション

Sangbae Lee1, Mengen Chen, Wei Yang

  • 1Department of Chemistry, University of Florida, Gainesville, Florida 32611, USA.

まとめ

オートゴナル・スペース・ランダム・ウォーク (OSRW) シミュレーションでは,ホルミル-CoA:オキサラート-CoAトランスファーゼ (FRC) のループ構成がエネルギー的に類似していることを明らかにしています. ミュタゲネーシス研究によると,OSRWは,ループのダイナミクスの変化と酵素効率の低下を予測することができます.

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