論文

査読有り
2012年10月

Influence of ionization states of antigen on anti-fluorescein antibodies

CHEMICAL PHYSICS LETTERS
  • Hiroaki Fukunishi

549
開始ページ
93
終了ページ
98
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1016/j.cplett.2012.08.049
出版者・発行元
ELSEVIER SCIENCE BV

Ratios of anion and di-anion states of fluorescein (FLU(-1) and FLU(-2)) are 21.2% and 78.8%, respectively, in the neutral pH. We investigated the influence of ionization states of antigen on anti-fluorescein antibodies. For this purpose, steered molecular dynamics (SMD) simulations were performed. Potential of mean forces (PMF) based on Jarzynski equality showed that wild-type (4-4-20) more strongly binds to FLU(-1) than FLU(-2), whereas its femtomolar-affinity mutant (4M5.3) more strongly binds to FLU(-2) than FLU(-1). It was speculated that the environment or the process of in vivo antibody production had been different from those of the protein engineering. (c) 2012 Elsevier B.V. All rights reserved.


リンク情報
DOI
https://doi.org/10.1016/j.cplett.2012.08.049
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000309608900018&DestApp=WOS_CPL

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