Potential of mean force for human lysozyme-camelid vhh hl6 antibody interaction studies

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標題:	Potential of mean force for human lysozyme-camelid vhh hl6 antibody interaction studies
作者:	Yeng-Tseng Wang Jun-Min Liao Cheng-Lung Chen Zhi-Yuan Su Chang-Hung Chen Jeu-Jiun Hu
貢獻者:	資訊管理系
關鍵字:	MOLECULAR-DYNAMICS SIMULATION
日期:	2008-04
上傳時間:	2009-09-23 16:05:26 (UTC+8)
出版者:	ELSEVIER SCIENCE BV
摘要:	Calculating antigen–antibody interaction energies is crucial for understanding antigen–antibody associations in immunology. To shed further light into this equation, we study a separation of human lysozyme–camelid vhh hl6 antibody (cAb-HuL6) complex. The c-terminal end-to-end stretching of the lysozyme–antibody complex structures have been studied using potential of mean force (PMF) calculations based on molecular dynamics (MD) and explicit water model. For the lysozyme–antibody complex, there are six important intermediates in the c-terminal extensions process. Inclusion of our simulations may help to understand the binding mechanics of lysozyme–cAb-HuL6 antibody complex.
關聯:	Chemical physics letters 455(4-6)：p.284-288
显示于类别:	[資訊管理系] 期刊論文

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