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Effects of molecular dynamics and solvation on the electronic structure of molecular probes

✍ Scribed by Pasquale Caruso; Mauro Causà; Paola Cimino; Orlando Crescenzi; Maddalena D’Amore; Roberto Improta; Michele Pavone; Nadia Rega

Book ID
113021778
Publisher
Springer
Year
2012
Tongue
English
Weight
588 KB
Volume
131
Category
Article
ISSN
1432-2234

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Solvation effect on the structural chang
Solvation effect on the structural change of a globular protein: A molecular dynamics study
✍ Taku Mizukami; Hiroaki Saito; Shuhei Kawamoto; Takeshi Miyakawa; Masashi Iwayama 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 891 KB

## Abstract To investigate the relationship between structural change and the solvation effect, we estimated the solvation free energy or excess chemical potential (ECP) of a globular protein by the energy representation method for the protein structure obtained by a molecular dynamic simulation. A