Free Energy Change during the Formation of Crystalline Contact between Lysozyme Monomers under Different Physical and Chemical Conditions

Free Energy Change during the Formation of Crystalline Contact between Lysozyme Monomers under Different Physical and Chemical Conditions

We use the MM/GBSA method to calculate the free energies of dimer formation by binding two monomers with different combinations of precipitant ions, both embedded in the structure of monomers and in the crystallization solution. It shows that the largest difference in free energy values corresponds...

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Bibliographic Details
Main Authors: Yuliya V. Kordonskaya, Vladimir I. Timofeev, Yulia A. Dyakova, Margarita A. Marchenkova, Yury V. Pisarevsky, Mikhail V. Kovalchuk
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Crystals
Subjects:
protein crystallography
molecular modeling
molecular dynamics
Online Access:https://www.mdpi.com/2073-4352/11/9/1121

Internet

https://www.mdpi.com/2073-4352/11/9/1121

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