Stability, Speed, and Constraints for Structural Coarse-Graining in VOTCA-Reference-Cited by-同舟云学术

Stability, Speed, and Constraints for Structural Coarse-Graining in VOTCA

Published:2023-01-11 Issue:2 Volume:19 Page:580-595
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bernhardt Marvin P.¹^ORCID,Hanke Martin²^ORCID,van der Vegt Nico F.A.¹^ORCID

Affiliation:

1. Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Technische Universität Darmstadt, Alarich-Weiss-Straße 10, 64287Darmstadt, Germany

2. Institut für Mathematik, Johannes Gutenberg-Universität Mainz, Staudingerweg 9, 55128Mainz, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00665

Reference47 articles.

1. Coarse-Graining in Polymer Simulation: From the Atomistic to the Mesoscopic Scale and Back

2. Chemically specific coarse‐graining of polymers: Methods and prospects

3. Systematic coarse-graining methods for soft matter simulations – a review

4. Minimal coarse-grained models for molecular self-organisation in biology

5. Martini 3: a general purpose force field for coarse-grained molecular dynamics

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