Cumulative Submillisecond All-Atom Simulations of the Temperature-Induced Coil-to-Globule Transition of Poly(N-vinylcaprolactam) in Aqueous Solution

Author:

Dittrich Jonas12ORCID,Kather Michael34,Holzberger Anna34,Pich Andrij234ORCID,Gohlke Holger125ORCID

Affiliation:

1. Institute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany

2. Bioeconomy Science Center (BioSC), Forschungszentrum Jülich, 52425 Jülich, Germany

3. DWI-Leibniz-Institute for Interactive Materials, RWTH Aachen University, 52056 Aachen, Germany

4. Institute of Technical and Macromolecular Chemistry, RWTH Aachen University, 52074 Aachen, Germany

5. John von Neumann Institute for Computing (NIC), Jülich Supercomputing Centre (JSC), Institute of Biological Information Processing (IBI-7: Structural Biochemistry), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

Funder

Ministerium f?r Innovation, Wissenschaft und Forschung des Landes Nordrhein-Westfalen

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Inorganic Chemistry,Polymers and Plastics,Organic Chemistry

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