A Simple QM/MM Approach for Capturing Polarization Effects in Protein-Ligand Binding Free Energy Calculations

Journal article


Publication Details

Author(s): Beierlein F, Michel J, Essex J
Journal: Journal of Physical Chemistry B
Publisher: American Chemical Society
Publication year: 2011
Volume: 115
Pages range: 4911-4926
ISSN: 1520-6106
eISSN: 1520-5207


FAU Authors / FAU Editors

Beierlein, Frank Dr.
Computer-Chemie-Centrum


How to cite

APA:
Beierlein, F., Michel, J., & Essex, J. (2011). A Simple QM/MM Approach for Capturing Polarization Effects in Protein-Ligand Binding Free Energy Calculations. Journal of Physical Chemistry B, 115, 4911-4926. https://dx.doi.org/10.1021/jp109054j

MLA:
Beierlein, Frank, Julien Michel, and Jonathan Essex. "A Simple QM/MM Approach for Capturing Polarization Effects in Protein-Ligand Binding Free Energy Calculations." Journal of Physical Chemistry B 115 (2011): 4911-4926.

BibTeX: 

Last updated on 2018-19-04 at 03:34