MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?

Federico Fogolari; Elisabetta Moroni; Marcin Wojciechowski; Maciej Bagiński; Laura Ragona; Henriette Molinari

MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?

Abstract

Praca dotyczy pH zależnych zmian konformacyjnych EF pętli beta-laktoglobuliny. Zmiany te są śledzone za pomocą metod obliczeniowych chemii (dynamika molekularna oraz metody MM/PBSA).

Authors (6)

Federico Fogolari
- Faculty of Chemistry
- Gdańsk University of Technology
Elisabetta Moroni
- Faculty of Chemistry
- Gdańsk University of Technology
Marcin Wojciechowski
- Faculty of Chemistry
- Gdańsk University of Technology
Maciej Bagiński prof. dr hab. inż.
- Faculty of Chemistry
- Gdańsk University of Technology
Laura Ragona
- Faculty of Chemistry
- Gdańsk University of Technology
Henriette Molinari
- Faculty of Chemistry
- Gdańsk University of Technology

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Category:: Articles
Type:: artykuł w czasopiśmie z listy filadelfijskiej
Language:: English
Publication year:: 2005
Bibliographic description:: Fogolari F., Moroni E., Wojciechowski M., Bagiński M., Ragona L., Molinari H.: MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?// . -., (2005),
Verified by:: Gdańsk University of Technology