The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics

Author:

Fischer Anna-Lena M.1,Tichy Anna1,Kokot Janik1,Hoerschinger Valentin J.1,Wild Robert F.1,Riccabona Jakob R.1,Loeffler Johannes R.1ORCID,Waibl Franz2,Quoika Patrick K.3ORCID,Gschwandtner Philipp4,Forli Stefano5,Ward Andrew B.5,Liedl Klaus R.1ORCID,Zacharias Martin3ORCID,Fernández-Quintero Monica L.1ORCID

Affiliation:

1. Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, A-6020 Innsbruck, Austria

2. Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland

3. Center for Protein Assemblies (CPA), Physics Department, Chair of Theoretical Biophysics, Technical University of Munich, D-80333 Munich, Germany

4. Research Center HPC, University of Innsbruck, A-6020 Innsbruck, Austria

5. Department of Integrative Structural and Computational Biology, Scripps Research Institute, La Jolla, California 92037, United States

Funder

?sterreichischen Akademie der Wissenschaften

Austrian Science Fund

Publisher

American Chemical Society (ACS)

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