Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States

Chem Rev. 2015 Jun 24;115(12):6217-63. doi: 10.1021/cr500628b. Epub 2015 Apr 16.

Authors

Elizabeth Brunk^{1

2}, Ursula Rothlisberger^{1

3}

Affiliations

¹ †Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
² ‡Joint BioEnergy Institute, Lawrence Berkeley National Laboratory, Emeryville, California 94618, United States.
³ §National Competence Center of Research (NCCR) MARVEL-Materials' Revolution: Computational Design and Discovery of Novel Materials, 1015 Lausanne, Switzerland.

PMID: 25880693
DOI: 10.1021/cr500628b

No abstract available

Publication types

Research Support, Non-U.S. Gov't
Review

MeSH terms

Computational Biology
DNA / chemistry*
Electrons
Molecular Dynamics Simulation*
Nucleosomes / chemistry*
Proteins / chemistry*
Quantum Theory*

Substances

Nucleosomes
Proteins
DNA