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Graph-Based Approach to Systematic Molecular Coarse-Graining

Published:2018-12-17 Issue:2 Volume:15 Page:1199-1208
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Webb Michael A.¹^ORCID,Delannoy Jean-Yves²,de Pablo Juan J.¹³^ORCID

Affiliation:

1. Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States

2. Simulation, Modeling and Artificial Intelligence team, Solvay, Bristol, Pennsylvania 19007, United States

3. Institute for Molecular Engineering and Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States

Funder

Solvay

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00920

Reference56 articles.

1. Coarse-Graining Methods for Computational Biology

2. On developing coarse-grained models for biomolecular simulation: a review

3. Coarse-Grained (Multiscale) Simulations in Studies of Biophysical and Chemical Systems

4. Coarse-Grained Simulations of Macromolecules: From DNA to Nanocomposites

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