How negatively charged proteins adsorb to negatively charged surfaces - a molecular dynamics study of BSA adsorption on silica

Karina Kubiak-Ossowska, Barbara Jachimska, Paul A. Mulheran

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

How proteins adsorb to inorganic material surfaces is critically important for the development of new biotechnologies, since the orientation and structure of the adsorbed proteins impacts their functionality. Whilst it is known that many negatively charged proteins readily adsorb to negatively charged oxide surfaces, a detailed understanding of how this process occurs is lacking. In this work we study the adsorption of BSA, an important transport protein that is negatively charged at physiological conditions, to a model silica surface that is also negatively charged. We use fully atomistic Molecular Dynamics to provide detailed understanding of the non-covalent interactions that bind the BSA to the silica surface. Our results provide new insight into the competing roles of long-range electrostatics and short-range forces, and the consequences this has for the orientation and structure of the adsorbed proteins.

LanguageEnglish
Pages10463-10468
Number of pages6
JournalJournal of Physical Chemistry B
Volume120
Issue number40
Early online date22 Sep 2016
DOIs
Publication statusPublished - 13 Oct 2016

Fingerprint

Silicon Dioxide
Molecular dynamics
Silica
molecular dynamics
silicon dioxide
proteins
Proteins
Adsorption
adsorption
Biotechnology
biotechnology
inorganic materials
Oxides
Electrostatics
Carrier Proteins
electrostatics
oxides
interactions

Keywords

  • proteins
  • inorganic materials

Cite this

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How negatively charged proteins adsorb to negatively charged surfaces - a molecular dynamics study of BSA adsorption on silica. / Kubiak-Ossowska, Karina; Jachimska, Barbara; Mulheran, Paul A.

In: Journal of Physical Chemistry B, Vol. 120, No. 40, 13.10.2016, p. 10463-10468.

Research output: Contribution to journalArticle

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